SCHEMBL1317639

SCHEMBL1317639

CCOCCOC1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.38
▸ SLC6A2 P23975 4/20 0.33
▸ SLC6A4 P31645 4/20 0.33
▸ SLC6A3 Q01959 3/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ HTR4 Q13639 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ TSHR P16473 1/20 0.30

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
SCHEMBL27364707 0.98 EPHX2 (0.40) EPHX2SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL11164681 0.90 SLC6A2 (0.33) EPHX2SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL2555634 0.88 CHRM1 (0.41) EPHX2SLC6A2SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL3011881 0.86 CHRM1 (0.40) EPHX2SLC6A2SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL3011878 0.85 CHRM1 (0.42) EPHX2SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL27888454 0.84 EPHX2 (0.46) EPHX2ALDH1A1TSHR
SCHEMBL27389747 0.82 SLC6A4 (0.33) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL17309305 0.82 SLC6A4 (0.33) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL15362827 0.82 SLC6A4 (0.33) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL20133241 0.81 EPHX2 (0.33) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380878-B1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO CO LTD (JP) 2013-08-14 — — EP disclosed
EP-2615089-A1 PYRAZOLOQUINOLINE COMPOUND Astellas Pharma Inc. (JP) 2013-07-17 — — EP disclosed
CN-102325754-A Cyclic compound having hetero atom DAIICHI SANKYO CO LTD 2012-01-18 — — CN disclosed
US-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-03 — — US disclosed
EP-2380878-A1 CYCLIC COMPOUND HAVING HETERO ATOM Daiichi Sankyo Company, Limited (JP) 2011-10-26 — — EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 — — EP disclosed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 — — WO disclosed
US-4377581-A ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1983-03-22 — — US disclosed
US-4351940-A Chloro- and alkoxy-substituted-2-chloro-4-aminodquinazolines PFIZER INC. (US) 1982-09-28 — — US disclosed
US-4287341-A USEFUL AS ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1981-09-01 — — US disclosed
EP-0028473-A1 Chloro- and alkoxy-substituted-2,4-diaminoquinazolines and pharmaceutical compositions containing them PFIZER INC. (US) 1981-05-13 — — EP disclosed
US-4237138-A REGULATORS OF CARDIOVASCULAR SYSTEM PFIZER INC. (US) 1980-12-02 — — 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-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM BMP2, BMP4, BMP1 EPHX2 2401/4885SLC6A2 577/4885SLC6A4 812/4885

“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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