SCHEMBL3314729

SCHEMBL3314729

CC(Cc1ccccc1)c1ccccc1N

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.52
TAAR1 Q96RJ0 5/20 0.52
SLC6A2 P23975 2/20 0.52
MAOA P21397 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
CYP2A6 P11509 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
SLC18A2 Q05940 1/20 0.48
CYP2D6 P10635 1/20 0.48
EPHX1 P07099 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL8900594 0.91 SIGMAR1 (0.44) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL19669365 0.83 ALDH1A1 (0.46) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL6547009 0.79 SIGMAR1 (0.52) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL10633863 0.78 SIGMAR1 (0.50) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL22660974 0.78 NPC1 (0.46) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL7464343 0.78 EPHX1 (0.52) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL3820403 0.77 TSHR (0.59) TAAR1
SCHEMBL111291 0.77 TSHR (0.59) TAAR1
SCHEMBL7868990 0.77 TAAR1 (0.52) TAAR1
Ammonia Solution, Strong SCHEMBL5299921 0.76 SIGMAR1 (0.48) SIGMAR1TAAR1SLC6A2MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635662-B2 Compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2009-12-22 US claimed
US-5690726-A ADDING A LEWIS BASE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1997-11-25 US claimed
US-20160160089-A1 PRESSURE-SENSITIVE ADHESIVE SHEET TO BE USED IN PRODUCTION OF SEMICONDUCTOR NITTO DENKO CORPORATION (JP) 2016-06-09 US disclosed
US-7807738-B2 Compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2010-10-05 US disclosed
US-20100105941-A1 NOVEL COMPOUND FOR COLOR-PRODUCING COMPOSITION, AND RECORDING MATERIAL KABASHIMA KAZUO 2010-04-29 US disclosed
US-7635662-B2 Compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2009-12-22 US disclosed
EP-1148093-B1 CONJUGATED DIENE RUBBER COMPOSITION FOR TIRE USE AND TIRE ZEON CORP (JP) 2007-01-10 EP disclosed
EP-1146059-B1 RESIN MODIFIER, RESIN COMPOSITION CONTAINING THE SAME, AND POLYAROMATIC VINYL RESIN COMPOSITION ZEON CORP (JP) 2004-01-07 EP disclosed
EP-1260498-A1 NOVEL COLOR FORMER AND RECORDING MATERIAL Asahi Kasei Kabushiki Kaisha (JP) 2002-11-27 EP disclosed
US-6486258-B1 Conjugated diene rubber composition for tire use and tire ZEON CORPORATION (JP) 2002-11-26 US disclosed
US-6448336-B1 AROMATIC VINYL MONOMER POLYMERIZED WITH CONJUGATED DIENE POLYMER RUBBER; LOW TEMPERATURE IMPACT RESISTANCE; LUSTER ZEON CORP. (JP) 2002-09-10 US disclosed
EP-1148093-A1 CONJUGATED DIENE RUBBER COMPOSITION FOR TIRE USE AND TIRE Nippon Zeon Co., Ltd. (JP) 2001-10-24 EP disclosed
EP-1146059-A1 RESIN MODIFIER, RESIN COMPOSITION CONTAINING THE SAME, AND POLYAROMATIC VINYL RESIN COMPOSITION Nippon Zeon Co., Ltd. (JP) 2001-10-17 EP disclosed
EP-1116713-A1 NOVEL COLOR-DEVELOPING COMPOUND AND RECORDING MATERIAL Asahi Kasei Kabushiki Kaisha (JP) 2001-07-18 EP disclosed
US-5690726-A ADDING A LEWIS BASE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1997-11-25 US disclosed
US-4826752-A Dry photosensitive lithographic plate comprising a silicon rubber layer containing an aromatic aminosilane FUJI PHOTO FILM CO., LTD. (JP) 1989-05-02 US disclosed
US-4609734-A Process for the production of 2-hydroxypyridines from 2-pyridine carboxylic acid-N-oxides LONZA LTD. (CH) 1986-09-02 US disclosed
US-4264776-A FROM TERTIARY AMINES BY OXIDATION IN THE PRESENCE OF A CARBON CATALYST MONSANTO COMPANY (US) 1981-04-28 US disclosed
US-4089649-A HYDROPHILIC MODIFIDED THERMOPLASTIC RESINS ALLIED CHEMICAL CORPORATION (US) 1978-05-16 US disclosed
US-4087246-A HYDROPHILIC ADDITIVES, IMPROVED WATER ABSORBENCY AND CHARGE DISSIPATION ALLIED CHEMICAL CORPORATION (US) 1978-05-02 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 (1 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-20100105941-A1 NOVEL COMPOUND FOR COLOR-PRODUCING COMPOSITION, AND RECORDING MATERIAL UMPS, UROD, UGP2 SIGMAR1 1484/4885TAAR1 988/4885SLC6A2 3773/4885

“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.