SCHEMBL20375486

SCHEMBL20375486

CCCCCc1cn(CCCC(C)C)nn1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.56
HRH3 Q9Y5N1 2/20 0.56
CYP19A1 P11511 6/20 0.52
GBA1 P04062 7/20 0.51
EPHX2 P34913 1/20 0.50
GGPS1 O95749 2/20 0.45

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
SCHEMBL10079149 0.98 HRH4 (0.57) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL18489327 0.98 HRH4 (0.57) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL3536093 0.95 HRH4 (0.55) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL12265820 0.95 HRH4 (0.55) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL9926315 0.95 HRH4 (0.51) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL18494157 0.94 HRH4 (0.56) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL18489275 0.94 HRH4 (0.56) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL18493347 0.94 HRH4 (0.56) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL22762136 0.94 HRH4 (0.56) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL19300362 0.94 HRH4 (0.56) HRH4HRH3CYP19A1GBA1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210363189-A1 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS INC (US) 2021-11-25 US disclosed
US-11091522-B2 Peptidomimetic macrocycles and uses thereof AILERON THERAPEUTICS, INC. (US) 2021-08-17 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-10772934-B2 Highly active polypeptides and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2020-09-15 US disclosed
US-20200231638-A1 STABILIZED ANTI-MICROBIAL PEPTIDES DANA-FARBER CANCER INSTITUTE, INC. 2020-07-23 US disclosed
US-20200040048-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. 2020-02-06 US disclosed
US-20190185518-A9 WARHEAD-CONTAINING PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF BFL-1 AILERON THERAPEUTICS, INC. 2019-06-20 US disclosed
US-10246491-B2 Peptidomimetic macrocycles and use thereof in regulating HIF1alpha AILERON THERAPEUTICS, INC. (US) 2019-04-02 US disclosed
US-10030049-B2 Triazole macrocycle systems AILERON THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-20180193422-A1 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC. 2018-07-12 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 (10 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-20200384085-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME APLNR, SCTR, GIPR HRH4 1253/4885HRH3 1725/4885CYP19A1 3820/4885
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-10246491-B2 Peptidomimetic macrocycles and use thereof in regulating HIF1alpha HIF1A, HIF1AN, EGLN3 HRH4 1456/4885HRH3 875/4885CYP19A1 797/4885
US-10030049-B2 Triazole macrocycle systems FLT3, VIP, NGLY1 HRH4 1806/4885HRH3 1158/4885CYP19A1 2366/4885
US-20200040048-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF FLT3, BID, GRPR HRH4 3042/4885HRH3 3034/4885CYP19A1 1854/4885
US-20190185518-A9 WARHEAD-CONTAINING PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF BFL-1 BCL2L11, BCL2L1, BCL2L13 HRH4 4318/4885HRH3 3975/4885CYP19A1 3501/4885
US-11091522-B2 Peptidomimetic macrocycles and uses thereof FLT3, BID, GRPR HRH4 3042/4885HRH3 3034/4885CYP19A1 1854/4885
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-20200231638-A1 STABILIZED ANTI-MICROBIAL PEPTIDES VIP, CTSA, HM13 HRH4 1709/4885HRH3 1881/4885CYP19A1 4833/4885
US-20210363189-A1 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES BID, FLT3, GRPR HRH4 2639/4885HRH3 2900/4885CYP19A1 2105/4885

“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.