SCHEMBL19652128

SCHEMBL19652128

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 3/20 0.48
▸ NOS3 P29474 2/20 0.47
▸ NOS1 P29475 2/20 0.47
▸ NOS2 P35228 2/20 0.47
▸ DRD2 P14416 3/20 0.46
▸ HTR2A P28223 3/20 0.46
▸ HTR2C P28335 3/20 0.46
▸ HTR2B P41595 3/20 0.46
▸ SIGMAR1 Q99720 3/20 0.46
▸ CHRM1 P11229 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ TACR1 P25103 2/20 0.43
▸ ACHE P22303 2/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ CHRM4 P08173 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL19658471 0.88 NOS3 (0.48) CCR5NOS3NOS1NOS2DRD2
SCHEMBL19652145 0.82 CCR5 (0.55) CCR5DRD2HTR2AHTR2CHTR2B
SCHEMBL19568156 0.76 ACHE (0.62) NOS3NOS1NOS2DRD2CHRM1
SCHEMBL4241634 0.76 MAPT (0.54) CHRM1TACR1ACHEBRD4TSHR
SCHEMBL17753684 0.73 TAF1 (0.66) BRD4
SCHEMBL7496079 0.73 OPRM1 (0.64) CCR5DRD2SIGMAR1CHRM1
SCHEMBL29321604 0.73 SIGMAR1 (0.57) CCR5DRD2HTR2AHTR2CHTR2B
SCHEMBL29321598 0.73 SIGMAR1 (0.57) CCR5DRD2HTR2AHTR2CHTR2B
SCHEMBL20804350 0.73 COMT (0.53) DRD2SIGMAR1CHRM1SLC6A2SLC6A4
SCHEMBL28024574 0.73 COMT (0.53) DRD2SIGMAR1CHRM1SLC6A2SLC6A4

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 1178/4885NOS3 3650/4885NOS1 3970/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 CCR5 1178/4885NOS3 3650/4885NOS1 3970/4885

“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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