SCHEMBL7422192

SCHEMBL7422192

CC(N)C(CC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.71
KMT2A Q03164 4/20 0.71
CYP2C19 P33261 3/20 0.71
MEN1 O00255 2/20 0.71
CYP2D6 P10635 2/20 0.71
GABBR2 O75899 3/20 0.56
GABBR1 Q9UBS5 3/20 0.56
LMNA P02545 2/20 0.56
CYP3A4 P08684 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
NFKB1 P19838 1/20 0.56
DRD3 P35462 1/20 0.56
BLM P54132 1/20 0.56
CYP1A2 P05177 1/20 0.56
THRB P10828 1/20 0.56
TSHR P16473 1/20 0.56
POLB P06746 2/20 0.53
FDFT1 P37268 2/20 0.48
FFAR1 O14842 2/20 0.48
HSD17B10 Q99714 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
SCHEMBL14478252 1.00 CYP2C9 (0.71) CYP2C9KMT2ACYP2C19MEN1CYP2D6
Baclofen SCHEMBL8332199 0.90 GABBR2 (0.75) CYP2C9KMT2ACYP2C19MEN1CYP2D6
SCHEMBL27925046 0.84 CYP2D6 (0.50) CYP2C9KMT2ACYP2C19MEN1CYP2D6
SCHEMBL6020157 0.84 GABBR2 (0.52) CYP2C9KMT2ACYP2C19MEN1CYP2D6
SCHEMBL12648467 0.83 CYP2C9 (1.00) CYP2C9KMT2ACYP2C19MEN1CYP2D6
SCHEMBL2263801 0.83 CYP2C9 (1.00) CYP2C9KMT2ACYP2C19MEN1CYP2D6
SCHEMBL6021624 0.83 CYP2C9 (1.00) CYP2C9KMT2ACYP2C19MEN1CYP2D6
SCHEMBL16669268 0.83 CYP2C9 (1.00) CYP2C9KMT2ACYP2C19MEN1CYP2D6
SCHEMBL6021625 0.83 CYP2C9 (1.00) CYP2C9KMT2ACYP2C19MEN1CYP2D6
SCHEMBL15177941 0.80 CYP2C9 (0.77) CYP2C9KMT2ACYP2C19MEN1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748320-B1 PRODRUGS OF MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-11-13 EP disclosed
US-20020002164-A1 Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO., INC. 2002-01-03 US disclosed
US-6235735-B1 AFTERTREATMENT OF RADIATION THERAPY MERCK & CO., INC. 2001-05-22 US disclosed
EP-0734381-B1 MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2000-07-05 EP disclosed
US-6048859-A ANTIEMETIC AGENT MERCK & CO., INC. (US) 2000-04-11 US disclosed
EP-0858444-A4 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-12-01 EP disclosed
EP-0577394-B1 Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO INC (US) 1999-11-10 EP disclosed
EP-0858444-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-08-19 EP disclosed
US-5780467-A USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES, PAIN OR MIGRAINE, ASTHMA AND EMESIS MERCK & CO., INC. (US) 1998-07-14 US disclosed
WO-1998017660-A1 PHENYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-04-30 WO disclosed
US-5457107-A For treating inflammatory diseases, pain or migraine, asthma and emesis MERCK & CO., INC. (US) 1995-10-10 US disclosed
WO-1995023798-A1 PRODRUGS OF MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-09-08 WO disclosed
WO-1995022525-A1 N-ACYLPIPERIDINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1995-08-24 WO disclosed
WO-1995016679-A1 MORPHOLINE AND THIOMORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-06-22 WO disclosed
US-5387595-A Antiinflammatory agents MERCK & CO., INC. (US) 1995-02-07 US disclosed
WO-1994013646-A1 N,N-DIACYLPIPERAZINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-06-23 WO disclosed
US-5292726-A N,N-diacylpiperazines MERCK & CO., INC. (US) 1994-03-08 US disclosed
WO-1994004487-A1 ALICYCLIC COMPOUNDS AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-03-03 WO disclosed
WO-1994000440-A1 MORPHOLINE AND THIOMORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-01-06 WO disclosed
EP-0577394-A1 Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO. INC. (US) 1994-01-05 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-20020002164-A1 Morpholine and thiomorpholine tachykinin receptor antagonists TRPM7, TRPM2, TRPM5 CYP2C9 1855/4885KMT2A 3090/4885CYP2C19 1042/4885

“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.