SCHEMBL3237000

SCHEMBL3237000

CCNC1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SPHK1 Q9NYA1 1/20 0.43
TACR1 P25103 1/20 0.38
CYP2C9 P11712 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ADRB2 P07550 1/20 0.37
OPRL1 P41146 3/20 0.37
KDM1A O60341 2/20 0.37
RCOR1 Q9UKL0 1/20 0.37
ESR2 Q92731 1/20 0.35
MAOB P27338 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL17546369 0.81 GRIN2B (0.51) ALDH1A1SMN1; SMN2SPHK1
Hydrochloric Acid SCHEMBL11828503 0.81 SPHK1 (0.43) ALDH1A1SPHK1CYP2C9HRH3KDM1A
SCHEMBL11841470 0.79 HRH3 (0.44) ALDH1A1SMN1; SMN2HRH3ADRB2KDM1A
Benzene SCHEMBL27459570 0.79 ESR2 (0.53) SPHK1CYP2C9ESR2
SCHEMBL876279 0.79 SPHK1 (0.40) ALDH1A1SPHK1CYP2C9HRH3OPRL1
SCHEMBL13674322 0.78 SLC6A4 (0.50) SMN1; SMN2SPHK1CYP2C9HRH3
SCHEMBL18161913 0.78 KDM1A (0.48) CYP2C9KDM1AESR2
SCHEMBL1066184 0.78 KDM1A (0.48) CYP2C9KDM1AESR2
SCHEMBL5222314 0.77 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNA
SCHEMBL5019352 0.77 OPRL1 (0.60) OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637576-B2 Benzamide derivatives and uses related thereto AMGEN INC. (US) 2014-01-28 US disclosed
US-8637576-B2 Benzamide derivatives and uses related thereto AMGEN INC. (US) 2014-01-28 US disclosed
US-8637576-B2 Benzamide derivatives and uses related thereto AMGEN INC. (US) 2014-01-28 US disclosed
EP-1904435-B1 BENZAMIDE DERIVATIVES AND USES RELATED THERETO AMGEN INC (US) 2013-01-02 EP disclosed
US-20100069447-A1 BENZAMIDE DERIVATIVES AND USES RELATED THERETO AMGEN INC. 2010-03-18 US disclosed
US-7605289-B2 Benzamide derivatives and uses related thereto AMGEN, INC. (US) 2009-10-20 US disclosed
US-7605289-B2 Benzamide derivatives and uses related thereto AMGEN, INC. (US) 2009-10-20 US disclosed
US-7605289-B2 Benzamide derivatives and uses related thereto AMGEN, INC. (US) 2009-10-20 US disclosed
CN-101198584-A Benzamide derivatives and uses related thereto AMGEN INC (US) 2008-06-11 CN disclosed
US-20060293392-A1 Benzamide derivatives and uses related thereto AMGEN INC. 2006-12-28 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 (2 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-20060293392-A1 Benzamide derivatives and uses related thereto GPR119, GLP1R, UGT2B7 ALDH1A1 138/4885SMN1; SMN2 2270/4885SPHK1 1651/4885
US-20100069447-A1 BENZAMIDE DERIVATIVES AND USES RELATED THERETO GPR119, GLP1R, UGT2B7 ALDH1A1 138/4885SMN1; SMN2 2270/4885SPHK1 1651/4885

“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.