SCHEMBL25638545

SCHEMBL25638545

C[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.55
ALPL P05186 3/20 0.55
MAPK1 P28482 2/20 0.55
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
KMT2A Q03164 4/20 0.53
TP53 P04637 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 3/20 0.53
IDO1 P14902 1/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 3/20 0.50
ALPI P09923 2/20 0.50
MAPT P10636 2/20 0.50
ALPG P10696 2/20 0.50
MLKL Q8NB16 2/20 0.50

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
SCHEMBL1284420 0.81 TAAR1 (0.59) TAAR1ALPLMAPK1KMT2AALDH1A1
SCHEMBL630978 0.81 TAAR1 (0.63) TAAR1ALPLMAPK1CYP3A4CYP2D6
SCHEMBL1001310 0.80 TAAR1 (0.62) TAAR1ALPLMAPK1CYP2D6CYP2C9
SCHEMBL6756155 0.79 TAAR1 (0.56) TAAR1ALPLMAPK1KMT2AALDH1A1
SCHEMBL24357951 0.79 TAAR1 (0.47) TAAR1ALPLMAPK1CYP3A4CYP2D6
SCHEMBL19509208 0.78 TAAR1 (0.49) TAAR1ALPLMAPK1CYP3A4CYP2D6
SCHEMBL9519998 0.77 TAAR1 (0.55) TAAR1ALPLMAPK1KMT2AALDH1A1
SCHEMBL7098832 0.77 IDO1 (0.57) TAAR1ALPLMAPK1KMT2AALDH1A1
SCHEMBL15085764 0.77 TAAR1 (0.55) TAAR1ALPLMAPK1KMT2AALDH1A1
SCHEMBL11319085 0.77 CYP3A4 (0.51) TAAR1ALPLMAPK1CYP3A4CYP2D6

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-11680064-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2023-06-20 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-11680064-B2 Capsid inhibitors for the treatment of HIV HAVCR2, MAVS, CD4 TAAR1 4782/4885ALPL 4559/4885MAPK1 4065/4885

“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.