SCHEMBL3549774

SCHEMBL3549774

CCCCCc1cn(CC)nn1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.62
HRH4 Q9H3N8 2/20 0.55
HRH3 Q9Y5N1 2/20 0.55
GGPS1 O95749 2/20 0.52
MIF P14174 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GBA1 P04062 3/20 0.49

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
SCHEMBL25836828 0.98 CYP19A1 (0.65) CYP19A1HRH4HRH3GGPS1L3MBTL1
SCHEMBL22794232 0.98 CYP19A1 (0.65) CYP19A1HRH4HRH3GGPS1L3MBTL1
SCHEMBL22701235 0.98 CYP19A1 (0.65) CYP19A1HRH4HRH3GGPS1L3MBTL1
SCHEMBL3546675 0.98 CYP19A1 (0.65) CYP19A1HRH4HRH3GGPS1L3MBTL1
SCHEMBL25837226 0.98 CYP19A1 (0.65) CYP19A1HRH4HRH3GGPS1L3MBTL1
SCHEMBL5021080 0.94 L3MBTL1 (0.56) CYP19A1HRH4HRH3GGPS1MIF
SCHEMBL14982736 0.90 CYP19A1 (0.50) CYP19A1HRH4HRH3GGPS1L3MBTL1
SCHEMBL460417 0.87 HRH4 (0.65) CYP19A1HRH4HRH3GBA1
SCHEMBL15958720 0.87 HRH4 (0.65) CYP19A1HRH4HRH3GBA1
SCHEMBL5020803 0.87 HRH4 (0.61) CYP19A1HRH4HRH3GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4186914-A1 METHOD FOR PRODUCING POLYNUCLEOTIDES ATDBio Limited (GB) 2023-05-31 EP disclosed
EP-3344275-B1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS INC (US) 2023-03-08 EP disclosed
EP-2999707-B1 TYLOSIN DERIVATIVES AND METHOD FOR PREPARATION THEREOF BAYER ANIMAL HEALTH GMBH (DE) 2018-03-28 EP 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-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-20120040889-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS INC. (US) 2012-02-16 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-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-20090275519-A1 Therapeutic peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2009-11-05 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 (14 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-20120101047-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP CYP19A1 1614/4885HRH4 1851/4885HRH3 2016/4885
US-20110263815-A1 TRIAZOLE MACROCYCLE SYSTEMS FLT3, VIP, NGLY1 CYP19A1 2366/4885HRH4 1806/4885HRH3 1158/4885
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-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES TP53, TP53BP1, VHL CYP19A1 2328/4885HRH4 4179/4885HRH3 4144/4885
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 CYP19A1 3811/4885HRH4 4334/4885HRH3 3879/4885
US-20120040889-A1 PEPTIDOMIMETIC MACROCYCLES ZC3HAV1, HAVCR2, ZC3HAV1L CYP19A1 3662/4885HRH4 2978/4885HRH3 2750/4885
US-20110250685-A1 COMPOSITIONS AND METHODS FOR ENHANCING CELLULAR TRANSPORT OF BIOMOLECULES SLC29A2, SLC29A1, SLC22A3 CYP19A1 4772/4885HRH4 4816/4885HRH3 3990/4885
US-20170298099-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP CYP19A1 2899/4885HRH4 4460/4885HRH3 3972/4885
US-20110144303-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-20090275519-A1 Therapeutic peptidomimetic macrocycles PCNA, MKI67, NFATC1 CYP19A1 2887/4885HRH4 3022/4885HRH3 2281/4885
US-20170360881-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF VIP, FLT3, HAVCR2 CYP19A1 3048/4885HRH4 2338/4885HRH3 1911/4885

“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.