SCHEMBL19658471

SCHEMBL19658471

CC(=O)N(C)C1CCN(Cc2ccccc2C#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.48
▸ NOS1 P29475 2/20 0.48
▸ NOS2 P35228 2/20 0.48
▸ BRD4 O60885 1/20 0.47
▸ CHRM1 P11229 1/20 0.45
▸ DRD2 P14416 3/20 0.45
▸ HTR2A P28223 3/20 0.45
▸ HTR2C P28335 3/20 0.45
▸ HTR2B P41595 3/20 0.45
▸ SIGMAR1 Q99720 3/20 0.45
▸ ACHE P22303 2/20 0.44
▸ GALR3 O60755 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CCR5 P51681 1/20 0.42
▸ CHRM4 P08173 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL19652128 0.88 CCR5 (0.48) NOS3NOS1NOS2BRD4CHRM1
SCHEMBL28003062 0.82 ACHE (0.58) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL19658841 0.81 TACR2 (0.55) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL19658477 0.81 CCR5 (0.55) DRD2SIGMAR1ALDH1A1LMNACCR5
SCHEMBL9030647 0.78 SIGMAR1 (0.67) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL19658764 0.78 MEN1 (0.54) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL19568156 0.77 ACHE (0.62) NOS3NOS1NOS2CHRM1DRD2
SCHEMBL4241634 0.77 MAPT (0.54) BRD4CHRM1ACHELMNATSHR
SCHEMBL19658475 0.76 MLNR (0.54) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL17753684 0.75 TAF1 (0.66) BRD4

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 NOS3 3650/4885NOS1 3970/4885NOS2 4047/4885

“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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