SCHEMBL3282997

SCHEMBL3282997

COc1cccc(C(N)Cc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.58
CASR P41180 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
MTNR1A P48039 2/20 0.54
MTNR1B P49286 2/20 0.54
MAOB P27338 1/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
AOC3 Q16853 1/20 0.48
IDO1 P14902 1/20 0.47
AGXT P21549 1/20 0.47

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
SCHEMBL25297052 1.00 TAAR1 (0.58) TAAR1CASRCYP1A2CYP2D6CYP2C19
SCHEMBL6444198 0.90 TAAR1 (0.68) TAAR1CASRCYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL10671127 0.89 TAAR1 (0.66) TAAR1CASRCYP1A2CYP2D6CYP2C19
SCHEMBL12706128 0.85 TAAR1 (0.56) TAAR1CASRCYP1A2CYP2D6CYP2C19
SCHEMBL27993059 0.83 CASR (0.59) TAAR1CASRMTNR1AMTNR1BMAOB
SCHEMBL4243808 0.83 TACR1 (0.63) TAAR1CASRMAOBKMT2ASMN1; SMN2
SCHEMBL4748456 0.83 CYP1A2 (0.51) TAAR1CASRCYP1A2CYP2D6CYP2C19
SCHEMBL28893947 0.82 SLC6A2 (0.56) TAAR1CYP1A2CYP2D6KMT2ASMN1; SMN2
SCHEMBL12706140 0.82 TAAR1 (0.60) TAAR1CYP1A2CYP2D6CYP2C19MAOB
SCHEMBL2368100 0.81 CYP1A2 (0.83) TAAR1CYP1A2CYP2D6CYP2C19SLC6A2

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-2018364-B1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN INC (US) 2013-08-21 EP disclosed
US-7709507-B2 Therapeutic fluoroethyl ureas ALLERGAN, INC. (US) 2010-05-04 US disclosed
US-20070270498-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. 2007-11-22 US disclosed
EP-0659737-B1 Catecholamine surrogates useful as beta 3 agonists BRISTOL MYERS SQUIBB CO (US) 2003-03-26 EP disclosed
US-5776983-A ANTIDIABETIC AGENTS, OBESITY, GASTROINTESTINAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-07 US disclosed
EP-0659737-A2 Catecholamine surrogates useful as B3 agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-28 EP 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-20070270498-A1 THERAPEUTIC FLUOROETHYL UREAS SLC14A1, MAPT, UTS2R TAAR1 2600/4885CASR 4167/4885CYP1A2 3727/4885

“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.