SCHEMBL9945890

SCHEMBL9945890

CB(C)c1c(F)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
GAA P10253 2/20 0.38
KCNH2 Q12809 2/20 0.35
MAT2A P31153 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
BACE1 P56817 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL14438547 0.83 ACHE (0.39) SMN1; SMN2KDM4EALDH1A1
SCHEMBL24539843 0.79 TAAR1 (0.42) TAAR1GAAKCNH2MAT2ACYP1A2
SCHEMBL29469267 0.77 GAA (0.42) TAAR1GAACYP1A2CYP2A6KMT2A
SCHEMBL321378 0.77 GAA (0.42) TAAR1GAACYP1A2CYP2A6KMT2A
SCHEMBL24539382 0.77 TAAR1 (0.37) TAAR1GAAKCNH2MAT2ACYP1A2
SCHEMBL25720444 0.74 SMN1; SMN2 (0.37) TAAR1GAAKMT2ALMNASMN1; SMN2
SCHEMBL25239572 0.71 TAAR1 (0.36) TAAR1GAACYP1A2CYP2A6KMT2A
SCHEMBL108893 0.69
SCHEMBL15745620 0.69
SCHEMBL31633779 0.69

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 TAAR1 1235/4885GAA 3822/4885KCNH2 3067/4885

“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.