SCHEMBL10312474

SCHEMBL10312474

CCCCc1cn(CCC(C)C)nn1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.49
HRH3 Q9Y5N1 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP19A1 P11511 7/20 0.48
GBA1 P04062 6/20 0.47
GGPS1 O95749 1/20 0.46
EPHX2 P34913 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
SCHEMBL10299507 0.95 HRH4 (0.54) HRH4HRH3CYP19A1GBA1GGPS1
SCHEMBL18757279 0.94 CYP19A1 (0.56) HRH4HRH3CYP19A1GBA1GGPS1
SCHEMBL10079147 0.94 CYP19A1 (0.56) HRH4HRH3CYP19A1GBA1GGPS1
SCHEMBL19224588 0.94 CYP19A1 (0.56) HRH4HRH3CYP19A1GBA1GGPS1
SCHEMBL9926315 0.92 HRH4 (0.51) HRH4HRH3L3MBTL1CYP19A1GBA1
SCHEMBL18391502 0.91 GBA1 (0.51) HRH4HRH3L3MBTL1CYP19A1GBA1
SCHEMBL3434876 0.90 HRH4 (0.42) HRH4HRH3L3MBTL1CYP19A1GBA1
SCHEMBL3533937 0.90 CYP19A1 (0.51) HRH4HRH3L3MBTL1CYP19A1GBA1
SCHEMBL23918008 0.89 GBA1 (0.53) HRH4HRH3L3MBTL1CYP19A1GBA1
SCHEMBL21671071 0.89 GBA1 (0.53) HRH4HRH3L3MBTL1CYP19A1GBA1

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-20240025863-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2024-01-25 US disclosed
US-20230037284-A9 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2023-02-02 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-10543255-B2 Peptides comprising non-natural amino acids and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2020-01-28 US disclosed
US-20190071469-A1 THERAPEUTIC PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS INC (US) 2019-03-07 US disclosed
US-10030049-B2 Triazole macrocycle systems AILERON THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-20180193423-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC. 2018-07-12 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-20120178700-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-07-12 US disclosed
US-20110144303-A1 Biologically Active Peptidomimetic Macrocycles AILERON THERAPEUTICS, INC. (US) 2011-06-16 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-20180193423-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME APLNR, SCTR, GIPR HRH4 1253/4885HRH3 1725/4885L3MBTL1 876/4885
US-20180193422-A1 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME SCTR, GIPR, APLNR HRH4 1644/4885HRH3 2078/4885L3MBTL1 1086/4885
US-10030049-B2 Triazole macrocycle systems FLT3, VIP, NGLY1 HRH4 1806/4885HRH3 1158/4885L3MBTL1 1750/4885
US-20230037284-A9 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES BID, FLT3, GRPR HRH4 2639/4885HRH3 2900/4885L3MBTL1 1206/4885
US-20190071469-A1 THERAPEUTIC PEPTIDOMIMETIC MACROCYCLES PCNA, MKI67, NFATC1 HRH4 3022/4885HRH3 2281/4885L3MBTL1 1005/4885
US-20170037105-A1 PEPTIDOMIMETIC MACROCYCLES GHRHR, GHSR, GHITM HRH4 1954/4885HRH3 2166/4885L3MBTL1 1262/4885
US-20110144303-A1 Biologically Active Peptidomimetic Macrocycles VIP, ANPEP, DNPEP HRH4 4460/4885HRH3 3972/4885L3MBTL1 1368/4885
US-10772934-B2 Highly active polypeptides and methods of making and using the same SCTR, GIPR, APLNR HRH4 1644/4885HRH3 2078/4885L3MBTL1 1086/4885
US-20240025863-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS SOS1, SOS2, SOST HRH4 4550/4885HRH3 4280/4885L3MBTL1 2240/4885
US-10543255-B2 Peptides comprising non-natural amino acids and methods of making and using the same APLNR, SCTR, GIPR HRH4 1253/4885HRH3 1725/4885L3MBTL1 876/4885
US-20120178700-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP HRH4 1851/4885HRH3 2016/4885L3MBTL1 709/4885
US-20200231638-A1 STABILIZED ANTI-MICROBIAL PEPTIDES VIP, CTSA, HM13 HRH4 1709/4885HRH3 1881/4885L3MBTL1 575/4885

“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.