SCHEMBL5286697

SCHEMBL5286697

CCC(CN)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.39
SLC7A5 Q01650 1/20 0.39
HTR2A P28223 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SLC6A4 P31645 1/20 0.37
LTA4H P09960 1/20 0.36
MAOA P21397 1/20 0.36
PTGS1 P23219 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL20449085 1.00 TAAR1 (0.39) TAAR1SLC7A5HTR2APOLBKDM4E
Methyl Alcohol SCHEMBL11163562 0.96 ALDH1A1 (0.40) TAAR1SLC7A5MTNR1AMTNR1B
Methyl Alcohol SCHEMBL11227349 0.94 ALDH1A1 (0.39) TAAR1SLC7A5MTNR1AMTNR1B
Formic Acid SCHEMBL27736167 0.89 MTNR1A (0.37) MAOAMTNR1AMTNR1B
SCHEMBL11515377 0.87 TAAR1 (0.44) TAAR1HTR2APOLBLTA4H
SCHEMBL7960172 0.87 TSHR (0.42) POLBKDM4ESLC6A4LTA4HMAOA
SCHEMBL8349925 0.84 SLC6A4 (0.39) TAAR1SLC7A5HTR2APOLBKDM4E
SCHEMBL5323618 0.84 SLC7A5 (0.43) TAAR1SLC7A5POLBSLC6A4LTA4H
SCHEMBL5280440 0.81 SLC7A5 (0.48) TAAR1SLC7A5HTR2ASLC6A4
SCHEMBL8423794 0.80 KDM4E (0.39) SLC7A5POLBKDM4ESLC6A4LTA4H

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756107-A2 ARYL-SUBSTITUTED PIPERAZINE DERIVATIVES NEUROGEN CORPORATION (US) 2007-02-28 EP claimed
WO-2006009789-A2 ARYL-SUBSTITUTED PIPERAZINE DERIVATIVES NEUROGEN CORPORATION (US) 2006-01-26 WO claimed
US-20180273528-A1 IMIDAZO[4,5-b]PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-09-27 US disclosed
EP-0912505-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-10-24 EP disclosed
EP-0912505-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-05-06 EP disclosed
WO-1997049680-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO disclosed
EP-0114374-B1 SUBSTITUTED 4-AMINOMETHYLENE CHROMANS OR CHROMENES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1986-07-23 EP disclosed
US-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
EP-0114374-A1 Substituted 4-aminomethylene chromans or chromenes, process for their preparation and their use in medicines BAYER AG (DE) 1984-08-01 EP 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-20180273528-A1 IMIDAZO[4,5-b]PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IDH2, CYP4B1, RB1 TAAR1 2324/4885SLC7A5 4042/4885HTR2A 1918/4885

“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.