SCHEMBL5021080

SCHEMBL5021080

CCCCc1cn(CC)nn1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
CYP19A1 P11511 8/20 0.55
GGPS1 O95749 3/20 0.52
HRH4 Q9H3N8 2/20 0.49
HRH3 Q9Y5N1 2/20 0.49
GBA1 P04062 3/20 0.47
MIF P14174 1/20 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
SCHEMBL3549774 0.94 CYP19A1 (0.62) L3MBTL1CYP19A1GGPS1HRH4HRH3
SCHEMBL22701235 0.92 CYP19A1 (0.65) L3MBTL1CYP19A1GGPS1HRH4HRH3
SCHEMBL25836828 0.92 CYP19A1 (0.65) L3MBTL1CYP19A1GGPS1HRH4HRH3
SCHEMBL22794232 0.92 CYP19A1 (0.65) L3MBTL1CYP19A1GGPS1HRH4HRH3
SCHEMBL25837226 0.92 CYP19A1 (0.65) L3MBTL1CYP19A1GGPS1HRH4HRH3
SCHEMBL3546675 0.92 CYP19A1 (0.65) L3MBTL1CYP19A1GGPS1HRH4HRH3
SCHEMBL14982736 0.92 CYP19A1 (0.50) L3MBTL1CYP19A1GGPS1HRH4HRH3
SCHEMBL1753748 0.88 CYP19A1 (0.61) L3MBTL1CYP19A1GGPS1HRH4HRH3
SCHEMBL3560938 0.86 L3MBTL1 (0.55) L3MBTL1CYP19A1GGPS1HRH4HRH3
SCHEMBL5020804 0.86 HRH4 (0.58) L3MBTL1CYP19A1GGPS1HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240367146-A1 HUMIDITY CONTROL AGENT AND DEVICE DAIKIN INDUSTRIES, LTD. (JP) 2024-11-07 US disclosed
CN-118510592-A Humidity control material and device 大金工业株式会社 2024-08-16 CN disclosed
US-20230270876-A1 SPECIFIC SITES FOR MODIFYING ANTIBODIES TO MAKE IMMUNOCONJUGATES NOVARTIS AG (CH) 2023-08-31 US disclosed
WO-2023140252-A1 MATERIAL AND DEVICE FOR CONTROLLING HUMIDITY ダイキン工業株式会社 2023-07-27 WO disclosed
WO-2023140252-A1 MATERIAL AND DEVICE FOR CONTROLLING HUMIDITY ダイキン工業株式会社 2023-07-27 WO 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
EP-2782922-B1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION BAYER IP GMBH (DE) 2017-12-20 EP disclosed
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-12-07 US disclosed
US-20120172311-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-07-05 US disclosed
US-20120115793-A1 PEPTIDOMIMETIC MACROCYCLES Alleron therapeutics, Inc (US) 2012-05-10 US disclosed
US-20120115783-A1 PEPTIDOMIMETIC MACROCYCLES Alleron therapeutics, Inc (US) 2012-05-10 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 (13 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-20110263815-A1 TRIAZOLE MACROCYCLE SYSTEMS FLT3, VIP, NGLY1 L3MBTL1 1750/4885CYP19A1 2366/4885GGPS1 1017/4885
US-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES PREP, ANPEP, DNPEP L3MBTL1 1325/4885CYP19A1 1866/4885GGPS1 2366/4885
US-20120115793-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP L3MBTL1 709/4885CYP19A1 1614/4885GGPS1 1373/4885
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES TP53, TP53BP1, VHL L3MBTL1 225/4885CYP19A1 2328/4885GGPS1 2545/4885
US-20230270876-A1 SPECIFIC SITES FOR MODIFYING ANTIBODIES TO MAKE IMMUNOCONJUGATES PTMS, FCGR2A, FCGR3B L3MBTL1 579/4885CYP19A1 4859/4885GGPS1 3192/4885
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 L3MBTL1 1351/4885CYP19A1 3811/4885GGPS1 2395/4885
US-20120115783-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP L3MBTL1 709/4885CYP19A1 1614/4885GGPS1 1373/4885
US-20110250685-A1 COMPOSITIONS AND METHODS FOR ENHANCING CELLULAR TRANSPORT OF BIOMOLECULES SLC29A2, SLC29A1, SLC22A3 L3MBTL1 2413/4885CYP19A1 4772/4885GGPS1 3084/4885
US-20110144303-A1 Biologically Active Peptidomimetic Macrocycles VIP, ANPEP, DNPEP L3MBTL1 1368/4885CYP19A1 2899/4885GGPS1 1228/4885
US-20100298201-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES VIP, ANPEP, NGLY1 L3MBTL1 1713/4885CYP19A1 3250/4885GGPS1 1548/4885
US-20090275519-A1 Therapeutic peptidomimetic macrocycles PCNA, MKI67, NFATC1 L3MBTL1 1005/4885CYP19A1 2887/4885GGPS1 1248/4885
US-20120172311-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 L3MBTL1 1351/4885CYP19A1 3811/4885GGPS1 2395/4885
US-20170360881-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF VIP, FLT3, HAVCR2 L3MBTL1 333/4885CYP19A1 3048/4885GGPS1 1106/4885

“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.