SCHEMBL19658477

SCHEMBL19658477

CC(=O)N(C)C1CCN(Cc2ccccc2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 1/20 0.55
▸ SIGMAR1 Q99720 1/20 0.53
▸ KMT2A Q03164 7/20 0.53
▸ MEN1 O00255 6/20 0.53
▸ HTT P42858 2/20 0.52
▸ ATM Q13315 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ POLB P06746 2/20 0.51
▸ MAPK1 P28482 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ DRD2 P14416 1/20 0.48
▸ DRD4 P21917 1/20 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
SCHEMBL19658478 0.87 CCR5 (0.58) CCR5
SCHEMBL19652134 0.86 CCR5 (0.52) CCR5SIGMAR1KMT2AMEN1HTT
SCHEMBL28003062 0.85 ACHE (0.58) SIGMAR1KMT2AMEN1ATMALDH1A1
SCHEMBL19658384 0.85 ATM (0.55) SIGMAR1KMT2AMEN1HTTATM
SCHEMBL19658841 0.84 TACR2 (0.55) CCR5SIGMAR1KMT2AMEN1ATM
SCHEMBL19658471 0.81 NOS3 (0.48) CCR5SIGMAR1ALDH1A1LMNADRD2
SCHEMBL9030647 0.81 SIGMAR1 (0.67) SIGMAR1DRD2
SCHEMBL1921304 0.79 SIGMAR1 (0.53) CCR5SIGMAR1KMT2AMEN1HTT
SCHEMBL19658394 0.78 ATM (0.53) SIGMAR1KMT2AMEN1HTTATM
SCHEMBL28003341 0.77 CCR3 (0.48) CCR5SIGMAR1ALDH1A1DRD2

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 CCR5 1178/4885SIGMAR1 1530/4885KMT2A 165/4885

“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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