SCHEMBL17033966

SCHEMBL17033966

CCNCCc1ccccc1F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.66
▸ MPO P05164 4/20 0.59
▸ HPGD P15428 1/20 0.56
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ EPHX2 P34913 1/20 0.55
▸ GFER P55789 1/20 0.55
▸ CYP1A2 P05177 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ ATM Q13315 1/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ CHRM3 P20309 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ AOC3 Q16853 1/20 0.47
▸ THRB P10828 1/20 0.47

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
SCHEMBL172293 0.86 TAAR1 (0.63) TAAR1MPOHPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL7368184 0.85 TAAR1 (0.67) TAAR1MPOHPGDMEN1KMT2A
SCHEMBL30866618 0.81 TAAR1 (0.62) TAAR1MPOHPGDMEN1KMT2A
SCHEMBL172266 0.81 TAAR1 (0.62) TAAR1MPOHPGDMEN1KMT2A
SCHEMBL22762068 0.79 TAAR1 (0.59) TAAR1MPOHPGDMEN1KMT2A
SCHEMBL22762050 0.79 TAAR1 (0.59) TAAR1MPOHPGDMEN1KMT2A
SCHEMBL680353 0.79 TAAR1 (1.00) TAAR1MPOHPGDMEN1KMT2A
SCHEMBL631227 0.79 MPO (0.58) TAAR1MPOHPGDMEN1KMT2A
Ammonia Solution, Strong SCHEMBL6195354 0.79 TAAR1 (0.60) TAAR1MPOHPGDMEN1KMT2A
SCHEMBL14444066 0.78 TAAR1 (0.63) TAAR1MPOHPGDMEN1KMT2A

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-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 — — 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-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, LIPE TAAR1 3396/4885MPO 343/4885HPGD 819/4885

“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.

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