SCHEMBL19652145

SCHEMBL19652145

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 2/20 0.55
▸ CXCR4 P61073 5/20 0.52
▸ POLB P06746 1/20 0.52
▸ DRD2 P14416 3/20 0.50
▸ SIGMAR1 Q99720 3/20 0.50
▸ HTR2A P28223 2/20 0.50
▸ HTR2C P28335 2/20 0.50
▸ HTR2B P41595 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ ATM Q13315 1/20 0.49
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ DRD4 P21917 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
SCHEMBL3597889 0.87 CCR5 (0.57) CCR5CXCR4POLBDRD2SIGMAR1
SCHEMBL19658841 0.87 TACR2 (0.55) CCR5CXCR4POLBDRD2SIGMAR1
SCHEMBL19658975 0.85 CCR5 (0.58) CCR5CXCR4POLBDRD2SIGMAR1
SCHEMBL19658607 0.83 CXCR4 (0.56) CXCR4POLBDRD2ALDH1A1ATM
SCHEMBL19652128 0.82 CCR5 (0.48) CCR5DRD2SIGMAR1HTR2AHTR2C
SCHEMBL17753689 0.81 CXCR4 (0.63) CXCR4POLBSIGMAR1ALDH1A1ATM
SCHEMBL28534607 0.80 CXCR4 (0.58) CXCR4POLBSIGMAR1ALDH1A1ATM
SCHEMBL19652261 0.80 CCR5 (0.55) CCR5CXCR4DRD2SIGMAR1HTR2A
SCHEMBL29321598 0.79 SIGMAR1 (0.57) CCR5DRD2SIGMAR1HTR2AHTR2C
SCHEMBL29321604 0.79 SIGMAR1 (0.57) CCR5DRD2SIGMAR1HTR2AHTR2C

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 3 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
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 1178/4885CXCR4 796/4885POLB 1307/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 CCR5 1178/4885CXCR4 796/4885POLB 1307/4885

“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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