SCHEMBL19658975

SCHEMBL19658975

CCC(=O)N(C)C1CCN(Cc2ccccc2Cl)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 2/20 0.58
▸ ALDH1A1 P00352 4/20 0.55
▸ OPRM1 P35372 4/20 0.53
▸ SIGMAR1 Q99720 2/20 0.53
▸ CXCR4 P61073 5/20 0.52
▸ POLB P06746 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ KCNH2 Q12809 1/20 0.50
▸ ATM Q13315 1/20 0.49
▸ DRD2 P14416 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ RAB9A P51151 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
SCHEMBL19658841 0.87 TACR2 (0.55) CCR5ALDH1A1SIGMAR1CXCR4POLB
SCHEMBL3597889 0.87 CCR5 (0.57) CCR5ALDH1A1OPRM1SIGMAR1CXCR4
SCHEMBL19652145 0.85 CCR5 (0.55) CCR5ALDH1A1SIGMAR1CXCR4POLB
SCHEMBL7269086 0.84 OPRM1 (0.72) CCR5OPRM1SIGMAR1KCNH2DRD2
SCHEMBL17753689 0.81 CXCR4 (0.63) ALDH1A1SIGMAR1CXCR4POLBKDM4E
SCHEMBL28543178 0.80 CXCR4 (0.58) ALDH1A1SIGMAR1CXCR4POLBKDM4E
SCHEMBL19658765 0.78 OPRM1 (0.56) ALDH1A1OPRM1SIGMAR1KDM4EKCNH2
SCHEMBL28910476 0.77 CXCR4 (0.61) ALDH1A1SIGMAR1CXCR4POLBKDM4E
SCHEMBL13478880 0.76 ALDH1A1 (0.58) CCR5ALDH1A1CXCR4KDM4EKCNH2
SCHEMBL7337299 0.76 OPRM1 (0.48) CCR5OPRM1SIGMAR1POLBKCNH2

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-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 — — US disclosed
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 (2 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 CCR5 1178/4885ALDH1A1 1563/4885OPRM1 4350/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 CCR5 1178/4885ALDH1A1 1563/4885OPRM1 4350/4885

“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.

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