SCHEMBL10078428

SCHEMBL10078428

CCCCCCCc1cn(CCC)nn1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.63
HRH4 Q9H3N8 2/20 0.62
HRH3 Q9Y5N1 2/20 0.62
GBA1 P04062 10/20 0.57
EPHX2 P34913 1/20 0.55

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
SCHEMBL12510692 1.00 CYP19A1 (0.63) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL25836825 1.00 CYP19A1 (0.63) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL9926292 1.00 CYP19A1 (0.63) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL5020803 0.98 HRH4 (0.61) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL24675720 0.93 HRH4 (0.66) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL11318961 0.93 HRH4 (0.66) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL94371 0.93 HRH4 (0.66) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL21959579 0.93 HRH4 (0.66) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL21318217 0.93 HRH4 (0.66) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL15944228 0.93 HRH4 (0.66) CYP19A1HRH4HRH3GBA1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20170360881-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. 2017-12-21 US disclosed
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-12-07 US disclosed
US-20170298099-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-10-19 US disclosed
US-20170299576-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-10-19 US disclosed
US-9789164-B2 Peptides comprising non-natural amino acids and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2017-10-17 US disclosed
US-9790262-B2 Compositions comprising glucagon analogs and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2017-10-17 US disclosed
US-9782454-B2 Highly active polypeptides and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2017-10-10 US disclosed
US-20170266254-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-09-21 US disclosed
US-20170247423-A1 STAPLED INTRACELLULAR-TARGETING ANTIMICROBIAL PEPTIDES TO TREAT INFECTION DANA-FARBER CANCER INSTITUTE, INC. 2017-08-31 US disclosed
US-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
US-20130096050-A1 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC. (US) 2013-04-18 US disclosed
US-20130072439-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2013-03-21 US disclosed
US-20130023646-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-01-24 US disclosed
US-20120178700-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-07-12 US disclosed
US-20120115793-A1 PEPTIDOMIMETIC MACROCYCLES Alleron therapeutics, Inc (US) 2012-05-10 US disclosed
US-20120101047-A1 PEPTIDOMIMETIC MACROCYCLES Aileron Therapetics Inc. (US) 2012-04-26 US disclosed
US-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2011-09-15 US disclosed
US-20100298201-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES AILERON THERAPEUTICS, INC. (US) 2010-11-25 US disclosed
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2009-12-31 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 (17 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-20170266254-A1 PEPTIDOMIMETIC MACROCYCLES TCF4, CTNNB1, WNT1 CYP19A1 3554/4885HRH4 1260/4885HRH3 1800/4885
US-20200384085-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME APLNR, SCTR, GIPR CYP19A1 3820/4885HRH4 1253/4885HRH3 1725/4885
US-20120101047-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP CYP19A1 1614/4885HRH4 1851/4885HRH3 2016/4885
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP CYP19A1 2899/4885HRH4 4460/4885HRH3 3972/4885
US-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES PREP, ANPEP, DNPEP CYP19A1 1866/4885HRH4 4083/4885HRH3 3193/4885
US-20120115793-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP CYP19A1 1614/4885HRH4 1851/4885HRH3 2016/4885
US-20130023646-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP CYP19A1 2899/4885HRH4 4460/4885HRH3 3972/4885
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES TP53, TP53BP1, VHL CYP19A1 2328/4885HRH4 4179/4885HRH3 4144/4885
US-20170247423-A1 STAPLED INTRACELLULAR-TARGETING ANTIMICROBIAL PEPTIDES TO TREAT INFECTION VIP, SPPL2B, HM13 CYP19A1 4873/4885HRH4 3426/4885HRH3 2932/4885
US-20130072439-A1 PEPTIDOMIMETIC MACROCYCLES TCF4, WNT1, CTNNB1 CYP19A1 3129/4885HRH4 1310/4885HRH3 2149/4885
US-20170298099-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP CYP19A1 2899/4885HRH4 4460/4885HRH3 3972/4885
US-20100298201-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES VIP, ANPEP, NGLY1 CYP19A1 3250/4885HRH4 4246/4885HRH3 3700/4885
US-20170299576-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 CYP19A1 3811/4885HRH4 4334/4885HRH3 3879/4885
US-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES GHRHR, GHSR, GHITM CYP19A1 154/4885HRH4 1954/4885HRH3 2166/4885
US-20170360881-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF VIP, FLT3, HAVCR2 CYP19A1 3048/4885HRH4 2338/4885HRH3 1911/4885
US-20120178700-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP CYP19A1 1614/4885HRH4 1851/4885HRH3 2016/4885
US-20130096050-A1 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME APLNR, SCTR, GIPR CYP19A1 3268/4885HRH4 1804/4885HRH3 2424/4885

“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.