SCHEMBL3366927

SCHEMBL3366927

FC(F)(F)c1cccc(CC2CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.53
IDO1 P14902 2/20 0.51
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAOB P27338 1/20 0.49
ACP3 P15309 1/20 0.49
MIF P14174 1/20 0.47
SMYD3 Q9H7B4 1/20 0.46

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
SCHEMBL3366280 0.93 KDM4E (0.51) TAAR1IDO1HTR2AHTR2CHTR2B
SCHEMBL27945752 0.92 ACP3 (0.46) TAAR1IDO1HTR2AHTR2CHTR2B
SCHEMBL14028146 0.92 HTT (0.49) TAAR1IDO1HTR2AHTR2CHTR2B
SCHEMBL27297055 0.92 HTT (0.49) TAAR1IDO1HTR2AHTR2CHTR2B
SCHEMBL3366388 0.91 KDM4E (0.54) TAAR1IDO1HTR2AHTR2CHTR2B
SCHEMBL4097081 0.89 GBA1 (0.57) TAAR1HTR2CHTR2BMAOB
SCHEMBL16024727 0.89 TAAR1 (0.46) TAAR1IDO1HTR2AHTR2CHTR2B
SCHEMBL13504033 0.88 HTR2A (0.51) TAAR1IDO1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL18280118 0.87 HTR2C (0.57) IDO1HTR2CHTR2BMAOB
SCHEMBL11986976 0.86 ALDH1A1 (0.51) KDM4EALDH1A1GAAMAOB

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-20100105722-A1 Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators GRUENENTHAL GMBH (DE) 2010-04-29 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-20100105722-A1 Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators KCNQ1, KCNQ3, KCNQ2 TAAR1 1402/4885IDO1 4388/4885HTR2A 297/4885

“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.