SCHEMBL21707957

SCHEMBL21707957

CCCCCCCCC1CCCNCCC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
GNAO1 P09471 11/20 0.49
GNAI3 P08754 10/20 0.44
GNAI1 P63096 10/20 0.44
SIGMAR1 Q99720 3/20 0.42
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LSS P48449 2/20 0.38

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
SCHEMBL25787123 1.00 CYP1A2 (0.56) CYP1A2GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL11633879 0.96 GNAO1 (0.54) CYP1A2GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL27482076 0.96 GNAO1 (0.54) CYP1A2GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL27497177 0.96 GNAO1 (0.54) CYP1A2GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL27496834 0.96 GNAO1 (0.54) CYP1A2GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL25247041 0.96 GNAO1 (0.54) CYP1A2GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL465210 0.96 GNAO1 (0.54) CYP1A2GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL27496492 0.96 GNAO1 (0.54) CYP1A2GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL27496493 0.96 GNAO1 (0.54) CYP1A2GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL465213 0.94 CYP1A2 (0.61) CYP1A2GNAO1GNAI3GNAI1SIGMAR1

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-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 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-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R CYP1A2 164/4885GNAO1 1106/4885GNAI3 1981/4885

“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.