SCHEMBL9926328

SCHEMBL9926328

CCCn1cc(CCCC(C)C)nn1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
CYP19A1 P11511 4/20 0.44
GBA1 P04062 12/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3549776 0.95 HRH4 (0.48) HRH4HRH3CYP19A1GBA1L3MBTL1
SCHEMBL23613270 0.94 HRH4 (0.49) HRH4HRH3CYP19A1GBA1
SCHEMBL19176415 0.94 HRH4 (0.49) HRH4HRH3CYP19A1GBA1
SCHEMBL5021146 0.94 HRH4 (0.49) HRH4HRH3CYP19A1GBA1
SCHEMBL3546672 0.92 HRH4 (0.51) HRH4HRH3CYP19A1GBA1L3MBTL1
SCHEMBL18789724 0.91 GBA1 (0.54) HRH4HRH3CYP19A1GBA1
SCHEMBL3434883 0.90 HRH4 (0.45) HRH4HRH3CYP19A1GBA1L3MBTL1
SCHEMBL3434876 0.90 HRH4 (0.42) HRH4HRH3CYP19A1GBA1L3MBTL1
SCHEMBL10081200 0.90 CYP19A1 (0.44) HRH4HRH3CYP19A1GBA1
SCHEMBL5020919 0.89 GBA1 (0.56) HRH4HRH3CYP19A1GBA1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. 2023-04-27 US disclosed
US-20230037284-A9 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2023-02-02 US disclosed
US-20200308236-A1 STAPLED INTRACELLULAR-TARGETING ANTIMICROBIAL PEPTIDES TO TREAT INFECTION DANA-FARBER CANCER INSTITUTE, INC. 2020-10-01 US disclosed
US-10772934-B2 Highly active polypeptides and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2020-09-15 US disclosed
US-20200085908-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. 2020-03-19 US disclosed
US-10227380-B2 Triazole-crosslinked and thioether-crosslinked peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2019-03-12 US disclosed
US-20180193422-A1 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC. 2018-07-12 US disclosed
US-9957296-B2 Triazole macrocycle systems AILERON THERAPEUTICS, INC. (US) 2018-05-01 US disclosed
US-20170037105-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-02-09 US disclosed
US-20120149648-A1 THERAPEUTIC PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-06-14 US disclosed
US-20110263815-A1 TRIAZOLE MACROCYCLE SYSTEMS AILERON THERAPEUTICS, INC., A DELAWARE CORPORATION (US) 2011-10-27 US disclosed
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2009-12-31 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 (12 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 3432/4885CYP19A1 3353/4885
US-20080262200-A1 Triazole Macrocycle Systems FLT3, VIP, NGLY1 HRH4 1806/4885HRH3 1158/4885CYP19A1 2366/4885
US-20180193422-A1 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME SCTR, GIPR, APLNR HRH4 1644/4885HRH3 2078/4885CYP19A1 3464/4885
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP HRH4 4460/4885HRH3 3972/4885CYP19A1 2899/4885
US-20200308236-A1 STAPLED INTRACELLULAR-TARGETING ANTIMICROBIAL PEPTIDES TO TREAT INFECTION VIP, SPPL2B, HM13 HRH4 3426/4885HRH3 2932/4885CYP19A1 4873/4885
US-20200085908-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF TP53, TP53BP1, MDM2 HRH4 4471/4885HRH3 4541/4885CYP19A1 939/4885
US-20110263815-A1 TRIAZOLE MACROCYCLE SYSTEMS FLT3, VIP, NGLY1 HRH4 1806/4885HRH3 1158/4885CYP19A1 2366/4885
US-20230037284-A9 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES BID, FLT3, GRPR HRH4 2639/4885HRH3 2900/4885CYP19A1 2105/4885
US-20170037105-A1 PEPTIDOMIMETIC MACROCYCLES GHRHR, GHSR, GHITM HRH4 1954/4885HRH3 2166/4885CYP19A1 154/4885
US-10227380-B2 Triazole-crosslinked and thioether-crosslinked peptidomimetic macrocycles IL33, TPR, CDC37 HRH4 1115/4885HRH3 912/4885CYP19A1 2898/4885
US-10772934-B2 Highly active polypeptides and methods of making and using the same SCTR, GIPR, APLNR HRH4 1644/4885HRH3 2078/4885CYP19A1 3464/4885
US-20120149648-A1 THERAPEUTIC PEPTIDOMIMETIC MACROCYCLES PCNA, MKI67, NFATC1 HRH4 3022/4885HRH3 2281/4885CYP19A1 2887/4885

“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.