SCHEMBL9103505

SCHEMBL9103505

CN1CC=C(CC(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.40
HTR6 P50406 2/20 0.35

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
Hydrochloric Acid SCHEMBL11084396 0.98 QDPR (0.39) QDPRHTR6
SCHEMBL8730559 0.87 QDPR (0.41) QDPR
SCHEMBL9568968 0.85 QDPR (0.40) QDPR
Oxalic Acid SCHEMBL9569051 0.84 QDPR (0.37) QDPRHTR6
SCHEMBL11084386 0.84 QDPR (0.39) QDPR
SCHEMBL14340657 0.84 QDPR (0.39) QDPR
SCHEMBL14340659 0.82 QDPR (0.38) QDPR
SCHEMBL9568917 0.82 QDPR (0.38) QDPR
SCHEMBL15324779 0.82 QDPR (0.38) QDPRHTR6
Oxalic Acid SCHEMBL9568879 0.82 CHRNB2 (0.37) QDPRHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2354134-B1 2H-CHROMENE DERIVATIVES AS STIMULATORS OF SPHINGOSINE 1-PHOSPHATE RECEPTOR ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-20070293670-A1 Pyrrolopyrimidine and Pyrrolopyridine Derivatives Substituted with Tetrahydropyridine as Crf Antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-12-20 US disclosed
US-20070293670-A1 Pyrrolopyrimidine and Pyrrolopyridine Derivatives Substituted with Tetrahydropyridine as Crf Antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-12-20 US disclosed
EP-0085899-B1 PYRIDOBENZODIAZEPINONES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1986-10-29 EP disclosed
EP-0085892-B1 SUBSTITUTED BENZODIAZEPINONES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1985-12-18 EP disclosed
US-4447434-A ANTIULCER, ANTISECRETORY, OR ANTICHOLINERGIC AGENTS DR. KARL THOMAE GMBH (DE) 1984-05-08 US disclosed
US-4424226-A ANTIULCER AGENTS DR. KARL THOMAE GMBH (DE) 1984-01-03 US disclosed
US-4424225-A ANTIULCER AGENTS DR. KARL THOMAE GMBH (DE) 1984-01-03 US disclosed
EP-0086982-A1 Substituted thienobenzodiazepinones, process for preparing them and medicines containing them Dr. Karl Thomae GmbH (DE) 1983-08-31 EP disclosed
EP-0085892-A1 Substituted benzodiazepinones, process for their preparation and medicines containing them Dr. Karl Thomae GmbH (DE) 1983-08-17 EP disclosed
EP-0085899-A2 Pyridobenzodiazepinones, process for their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1983-08-17 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 (2 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-20070293670-A1 Pyrrolopyrimidine and Pyrrolopyridine Derivatives Substituted with Tetrahydropyridine as Crf Antagonists HRH4, HRH2, HRH1 QDPR 194/4885HTR6 88/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 QDPR 3066/4885HTR6 362/4885

“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.