SCHEMBL19658652

SCHEMBL19658652

CC(=O)N1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.62
CCR1 P32246 10/20 0.59
MCHR1 Q99705 3/20 0.58
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
DRD2 P14416 1/20 0.54
HSD11B1 P28845 1/20 0.54
IDO1 P14902 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL12874043 0.84 QDPR (0.64) QDPRCCR1MCHR1ALDH1A1DRD2
SCHEMBL7277302 0.84 QDPR (0.69) QDPRMCHR1ALDH1A1KCNH2
SCHEMBL16963363 0.84 CCR1 (0.57) CCR1DRD2HSD11B1IDO1KCNH2
SCHEMBL2098866 0.84 HSD11B1 (0.58) CCR1DRD2HSD11B1IDO1KCNH2
SCHEMBL11977020 0.83 QDPR (0.59) QDPRCCR1MCHR1ALDH1A1KCNH2
SCHEMBL15300836 0.83 QDPR (0.62) QDPRCCR1MCHR1ALDH1A1KCNH2
SCHEMBL7287663 0.83 QDPR (0.62) QDPRMCHR1ALDH1A1HSD11B1KCNH2
SCHEMBL10460507 0.83 QDPR (0.62) QDPRCCR1MCHR1KCNH2
SCHEMBL3080099 0.83 QDPR (0.62) QDPRCCR1MCHR1ALDH1A1KCNH2
SCHEMBL8060393 0.83 DRD2 (0.54) CCR1DRD2HSD11B1IDO1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 QDPR 331/4885CCR1 610/4885MCHR1 2667/4885

“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.