SCHEMBL19658841

SCHEMBL19658841

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 1/20 0.55
▸ TACR1 P25103 1/20 0.55
▸ TACR3 P29371 1/20 0.55
▸ CXCR4 P61073 6/20 0.55
▸ CCR5 P51681 1/20 0.55
▸ POLB P06746 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.51
▸ ATM Q13315 1/20 0.51
▸ FAAH O00519 1/20 0.50
▸ SIGMAR1 Q99720 2/20 0.49
▸ DRD2 P14416 2/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ DRD4 P21917 2/20 0.48

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
SCHEMBL3597889 0.90 CCR5 (0.57) CXCR4CCR5POLBALDH1A1ATM
SCHEMBL19658975 0.87 CCR5 (0.58) CXCR4CCR5POLBALDH1A1ATM
SCHEMBL19652145 0.87 CCR5 (0.55) CXCR4CCR5POLBALDH1A1ATM
SCHEMBL28003062 0.85 ACHE (0.58) CXCR4ALDH1A1ATMSIGMAR1DRD2
SCHEMBL19658602 0.85 CXCR4 (0.59) CXCR4POLBALDH1A1ATMDRD2
SCHEMBL19658477 0.84 CCR5 (0.55) CCR5POLBALDH1A1ATMSIGMAR1
SCHEMBL9030647 0.83 SIGMAR1 (0.67) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL17753689 0.83 CXCR4 (0.63) CXCR4POLBALDH1A1ATMSIGMAR1
SCHEMBL28910476 0.82 CXCR4 (0.61) CXCR4POLBALDH1A1ATMSIGMAR1
SCHEMBL19658471 0.81 NOS3 (0.48) CCR5ALDH1A1SIGMAR1DRD2HTR2A

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 TACR2 1088/4885TACR1 1800/4885TACR3 2593/4885

“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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