SCHEMBL19658486

SCHEMBL19658486

CC(=O)N(C)C1CCN(CC2CCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
CHRM5 P08912 1/20 0.46
ADRA2C P18825 1/20 0.46
CCR5 P51681 2/20 0.39
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CCR1 P32246 1/20 0.37

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
SCHEMBL28003016 0.98 ACHE (0.51) ACHESMN1; SMN2CHRM5ADRA2CCCR5
SCHEMBL19658456 0.93 SMN1; SMN2 (0.39) ACHESMN1; SMN2SIGMAR1
SCHEMBL23173765 0.87 LMNA (0.42) ACHESMN1; SMN2CCR5ALDH1A1SIGMAR1
SCHEMBL23173896 0.86 CACNA2D1 (0.40) ACHESMN1; SMN2KDM4ESIGMAR1
SCHEMBL13478904 0.83 ACHE (0.49) ACHESMN1; SMN2CHRM5ADRA2CCCR5
SCHEMBL19652133 0.83 CCR5 (0.46) ACHESMN1; SMN2CHRM5ADRA2CCCR5
SCHEMBL28003354 0.83 OPRM1 (0.42) ACHECCR5ALDH1A1PKMOPRM1
SCHEMBL19658480 0.82 ACHE (0.47) ACHESMN1; SMN2CHRM5ADRA2C
SCHEMBL12010865 0.81 JAK2 (0.38) CCR5
SCHEMBL19658487 0.81 ACHE (0.50) ACHESMN1; SMN2CHRM5ADRA2C

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 ACHE 2649/4885SMN1; SMN2 1221/4885CHRM5 1660/4885

“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.