SCHEMBL3434883

SCHEMBL3434883

CC(C)CCCc1cn(CCCC(C)C)nn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
GBA1 P04062 6/20 0.43
CYP19A1 P11511 3/20 0.40
FOLH1 Q04609 1/20 0.40
EPHX2 P34913 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
NCF1 P14598 1/20 0.38
ADRB2 P07550 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20364736 0.95 HRH4 (0.47) HRH4HRH3GBA1CYP19A1FOLH1
SCHEMBL3434906 0.93 HRH4 (0.48) HRH4HRH3GBA1CYP19A1FOLH1
SCHEMBL18160354 0.93 HRH4 (0.48) HRH4HRH3GBA1CYP19A1FOLH1
SCHEMBL3433999 0.93 GBA1 (0.47) HRH4HRH3GBA1CYP19A1FOLH1
SCHEMBL3436123 0.93 HRH4 (0.42) HRH4HRH3GBA1FOLH1NCF1
SCHEMBL3434876 0.93 HRH4 (0.42) HRH4HRH3GBA1CYP19A1FOLH1
SCHEMBL3546672 0.92 HRH4 (0.51) HRH4HRH3GBA1CYP19A1EPHX2
SCHEMBL9926315 0.92 HRH4 (0.51) HRH4HRH3GBA1CYP19A1EPHX2
SCHEMBL3435452 0.92 HRH4 (0.47) HRH4HRH3GBA1CYP19A1FOLH1
SCHEMBL20375486 0.91 HRH4 (0.56) HRH4HRH3GBA1CYP19A1EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 111 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293702-A1 QUINAZOLINES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-09-21 US disclosed
US-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. 2023-04-27 US disclosed
US-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. 2023-04-27 US disclosed
US-20210363189-A1 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS INC (US) 2021-11-25 US disclosed
US-20210299211-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. 2021-09-30 US disclosed
US-20210205415-A1 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC 2021-07-08 US disclosed
US-10905739-B2 Peptidomimetic macrocycles and formulations thereof AILERON THERAPEUTICS, INC. (US) 2021-02-02 US disclosed
US-20200384085-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC. 2020-12-10 US disclosed
US-20200369728-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. 2020-11-26 US disclosed
US-20200308236-A1 STAPLED INTRACELLULAR-TARGETING ANTIMICROBIAL PEPTIDES TO TREAT INFECTION DANA-FARBER CANCER INSTITUTE, INC. 2020-10-01 US disclosed
US-20110263815-A1 TRIAZOLE MACROCYCLE SYSTEMS AILERON THERAPEUTICS, INC., A DELAWARE CORPORATION (US) 2011-10-27 US disclosed
US-20110250685-A1 COMPOSITIONS AND METHODS FOR ENHANCING CELLULAR TRANSPORT OF BIOMOLECULES NASH HUW M 2011-10-13 US disclosed
US-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2011-09-15 US disclosed
US-7981999-B2 Peptidomimetics; kits; macrocyclization AILERON THERAPEUTICS, INC. (US) 2011-07-19 US disclosed
US-20110144303-A1 Biologically Active Peptidomimetic Macrocycles AILERON THERAPEUTICS, INC. (US) 2011-06-16 US disclosed
US-20100298201-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES AILERON THERAPEUTICS, INC. (US) 2010-11-25 US disclosed
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2010-08-26 US disclosed
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2009-12-31 US disclosed
US-20090275519-A1 Therapeutic peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2009-11-05 US disclosed
US-20080262200-A1 Triazole Macrocycle Systems AILERON THERAPEUTICS, INC., A DELAWARE CORPORATION (US) 2008-10-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (18 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF MDM2, TP53, TP53BP1 HRH4 3864/4885HRH3 3432/4885GBA1 3276/4885
US-20080262200-A1 Triazole Macrocycle Systems FLT3, VIP, NGLY1 HRH4 1806/4885HRH3 1158/4885GBA1 4570/4885
US-20200384085-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME APLNR, SCTR, GIPR HRH4 1253/4885HRH3 1725/4885GBA1 1277/4885
US-20230293702-A1 QUINAZOLINES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS RAB1A, SOS1, IQGAP1 HRH4 694/4885HRH3 586/4885GBA1 292/4885
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP HRH4 4460/4885HRH3 3972/4885GBA1 280/4885
US-10905739-B2 Peptidomimetic macrocycles and formulations thereof MDM2, TP53, TP53BP1 HRH4 3864/4885HRH3 3432/4885GBA1 3276/4885
US-20200308236-A1 STAPLED INTRACELLULAR-TARGETING ANTIMICROBIAL PEPTIDES TO TREAT INFECTION VIP, SPPL2B, HM13 HRH4 3426/4885HRH3 2932/4885GBA1 1462/4885
US-20110263815-A1 TRIAZOLE MACROCYCLE SYSTEMS FLT3, VIP, NGLY1 HRH4 1806/4885HRH3 1158/4885GBA1 4570/4885
US-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES PREP, ANPEP, DNPEP HRH4 4083/4885HRH3 3193/4885GBA1 1017/4885
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 HRH4 4334/4885HRH3 3879/4885GBA1 2752/4885
US-20210299211-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF MDM2, TP53, TP53BP1 HRH4 3864/4885HRH3 3432/4885GBA1 3276/4885
US-20200369728-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF NGLY1, BID, DNPEP HRH4 2561/4885HRH3 2159/4885GBA1 586/4885
US-20110250685-A1 COMPOSITIONS AND METHODS FOR ENHANCING CELLULAR TRANSPORT OF BIOMOLECULES SLC29A2, SLC29A1, SLC22A3 HRH4 4816/4885HRH3 3990/4885GBA1 568/4885
US-20210205415-A1 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME SCTR, GIPR, APLNR HRH4 1644/4885HRH3 2078/4885GBA1 663/4885
US-20110144303-A1 Biologically Active Peptidomimetic Macrocycles VIP, ANPEP, DNPEP HRH4 4460/4885HRH3 3972/4885GBA1 280/4885
US-20100298201-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES VIP, ANPEP, NGLY1 HRH4 4246/4885HRH3 3700/4885GBA1 946/4885
US-20090275519-A1 Therapeutic peptidomimetic macrocycles PCNA, MKI67, NFATC1 HRH4 3022/4885HRH3 2281/4885GBA1 2876/4885
US-20210363189-A1 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES BID, FLT3, GRPR HRH4 2639/4885HRH3 2900/4885GBA1 600/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.