SCHEMBL7714810

SCHEMBL7714810

O=C(O)C1=Cc2ccccc2NCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRR1 P24046 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
LMNA P02545 2/20 0.38
BLM P54132 2/20 0.38

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
SCHEMBL19747000 0.92 MAPT (0.43) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL5655529 0.84 MEN1 (0.33) TSHRLMNABLMMAPTKDM4E
SCHEMBL29816130 0.84 MAOA (0.35) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL980578 0.84 MAOA (0.35) TSHRGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL3719374 0.82 BLM (0.34) TSHRGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL27489771 0.82 BLM (0.34) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL17158191 0.80 CA12 (0.47) TSHRLMNAKDM4EPOLB
SCHEMBL6349353 0.79 KDM4E (0.38) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL6510596 0.78 MAOA (0.32) ALOX15HSD17B10MAOAMAOB
SCHEMBL22541050 0.78 KDM4E (0.40) TSHRMAPTKDM4ERAB9AALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2940008-B1 NOVEL BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF SANWA KAGAKU KENKYUSHO CO (JP) 2017-05-17 EP disclosed
US-9586905-B2 Benzoazepine derivative and medical use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2017-03-07 US disclosed
EP-2940008-A1 NOVEL BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Sanwa Kagaku Kenkyusho Co., Ltd (JP) 2015-11-04 EP disclosed
US-20150291533-A1 NOVEL BENZOAZEPINE DERIVATIVE AND MEDICAL USE THEREOF SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2015-10-15 US disclosed
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
CN-1282243-A Pharmaceutical composition containing anilide derivative for antagonizing CCR5 TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-01-31 CN 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-20150291533-A1 NOVEL BENZOAZEPINE DERIVATIVE AND MEDICAL USE THEREOF AVPR2, AVPR1A, AVPR1B TSHR 349/4885GABRP 207/4885GABRD 161/4885

“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.