SCHEMBL7556949

SCHEMBL7556949

O=C(OCc1ccccc1)N1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.61
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NOS2 P35228 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
OPRD1 P41143 1/20 0.57
OPRK1 P41145 1/20 0.57
CYP2C19 P33261 1/20 0.56
OPRL1 P41146 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CCR1 P32246 1/20 0.53
POLB P06746 1/20 0.52
KDM1A O60341 2/20 0.51
ENPP2 Q13822 1/20 0.49

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
SCHEMBL10566099 0.92 MEN1 (0.53) CHRM4MEN1KMT2ANPSR1NOS2
SCHEMBL8696969 0.91 RORC (0.58) CHRM4MEN1KMT2ANPSR1NOS2
SCHEMBL19458995 0.91 ACE2 (0.56) CHRM4MEN1KMT2ANPSR1NOS2
SCHEMBL15379133 0.91 NOS2 (0.54) CHRM4MEN1KMT2ANPSR1NOS2
SCHEMBL16936275 0.91 CCR1 (0.64) CHRM4MEN1KMT2ANPSR1NOS2
SCHEMBL751049 0.90 OPRD1 (0.53) CHRM4MEN1KMT2ANPSR1NOS2
SCHEMBL23859674 0.89 SMN1; SMN2 (0.56) CHRM4MEN1KMT2ANPSR1NOS2
SCHEMBL8315425 0.89 OPRD1 (0.54) CHRM4MEN1KMT2ANPSR1NOS2
SCHEMBL2265088 0.88 MEN1 (0.69) CHRM4MEN1KMT2ANPSR1NOS2
SCHEMBL2885113 0.88 NOS2 (0.61) CHRM4MEN1KMT2ANPSR1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020137664-A1 Substituted piperidines as melanocortin-4 receptor agonists MERCK & CO., INC. 2002-09-26 US disclosed
US-6350760-B1 OBESITY, DIABETES, SEXUAL DYSFUNCTION; MERCK & CO., INC. 2002-02-26 US disclosed
CN-1061977-C Aryl substituted heterocycles ZENECA LTD (GB) 2001-02-14 CN disclosed
EP-0630887-B1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LTD (GB) 1999-07-28 EP disclosed
US-5654299-A TREATING RESPIRATORY SYSTEM DISORDER (I.E. ASTHMA) WITH NEUROKININ 2 RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-08-05 US disclosed
CN-1098094-A The heterocycle that aryl replaces ZENECA LTD (GB) 1995-02-01 CN disclosed
EP-0630887-A1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LIMITED (GB) 1994-12-28 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-20020137664-A1 Substituted piperidines as melanocortin-4 receptor agonists MC4R, MC5R, MC3R CHRM4 49/4885MEN1 1699/4885KMT2A 1288/4885

“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.