SCHEMBL3983864

SCHEMBL3983864

C=CCN1C[C@@H](C)N(CCCCl)C[C@@H]1C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.43
MAPT P10636 1/20 0.41
SIGMAR1 Q99720 1/20 0.38
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
HPGD P15428 2/20 0.32
CYP2C19 P33261 2/20 0.32

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
SCHEMBL3851995 0.80
SCHEMBL6796489 0.77 OPRD1 (0.47) OPRD1MAPTSIGMAR1KDM4ECYP1A2
SCHEMBL18661822 0.77 OPRD1 (0.47) OPRD1MAPTSIGMAR1KDM4ECYP1A2
SCHEMBL23867088 0.69 SIGMAR1 (0.32) SIGMAR1
SCHEMBL6927881 0.68 OPRD1 (0.61) OPRD1MAPTSIGMAR1KDM4ECYP1A2
SCHEMBL10664305 0.67 SIGMAR1 (0.47) MAPTSIGMAR1
Hydrochloric Acid SCHEMBL27678019 0.67 SIGMAR1 (0.33) SIGMAR1
SCHEMBL13993922 0.67 MAPT (0.43) OPRD1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL4598452 0.67 OPRD1 (0.46) OPRD1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL4598449 0.67 OPRD1 (0.46) OPRD1MAPTKDM4ECYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550467-B2 Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders SCHERING CORPORATION (US) 2009-06-23 US disclosed
US-20060111360-A1 Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders PHARMACOPEIA DRUG DISCOVERY, INC. 2006-05-25 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 (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-20060111360-A1 Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders MCHR1, MCHR2, MC4R OPRD1 49/4885MAPT 3254/4885SIGMAR1 155/4885

“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.