SCHEMBL6752933

SCHEMBL6752933

CCCNCC1CCc2cc(C(F)(F)F)ccc2N1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.40
▸ MTNR1A P48039 3/20 0.39
▸ SRD5A1 P18405 1/20 0.36
▸ KIF11 P52732 4/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR2B P41595 2/20 0.33

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
SCHEMBL30738393 0.83 AR (0.52) ARMTNR1ASRD5A1KIF11HTR2A
SCHEMBL27654170 0.83 AR (0.52) ARMTNR1ASRD5A1KIF11HTR2A
SCHEMBL6754202 0.78 AR (0.38) ARSRD5A1KIF11
SCHEMBL6754201 0.78 AR (0.38) ARSRD5A1KIF11
SCHEMBL6752929 0.78 AR (0.40) ARMTNR1ASRD5A1KIF11HTR2A
SCHEMBL6752928 0.78 AR (0.40) ARMTNR1ASRD5A1KIF11HTR2A
SCHEMBL6756163 0.77 AR (0.39) ARSRD5A1KIF11HTR2AHTR2C
SCHEMBL6756165 0.77 AR (0.39) ARSRD5A1KIF11HTR2AHTR2C
SCHEMBL6754126 0.77 AR (0.46) ARMTNR1ASRD5A1KIF11KMT2A
SCHEMBL6754125 0.77 AR (0.46) ARMTNR1ASRD5A1KIF11KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713468-B2 AS ANTICONVULSANTS; FOR THERAPY AND PROPHYLAXIS OF ISCHAEMIAS, ANOXIA, NEURODEGENERATIVE DISEASES AVENTIS PHARMA S.A. (FR) 2004-03-30 — — US disclosed
US-20030055031-A1 Methods of using thiazolobenzoheterocycles RHONE-POULENC RORER S.A. 2003-03-20 — — US disclosed
US-6448241-B1 THESE COMPOUNDS ARE ANTICONVULSANTS AND INTERFERE WITH GLUTAMATERGIC TRANSMISSION AND ARE THEREFORE USEFUL FOR THE TREATMENT OR PREVENTION OF ALL ISCHAEMIAS FOLLOWING CEREBROVASCULAR ACCIDENTS AVENTIS PHARMA S.A. (FR) 2002-09-10 — — US disclosed
EP-0966473-B1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME AVENTIS PHARMA SA (FR) 2002-07-24 — — EP disclosed
US-6423715-B1 ANTICONVULSANTS AVENTIS PHARMA S.A. (FR) 2002-07-23 — — US disclosed
US-6288075-B1 ANTIEPILEPTIC AGENTS; NERVOUS SYSTEM, BRAIN, AND CARDIOVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2001-09-11 — — US disclosed
EP-0966473-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME Aventis Pharma S.A. (FR) 1999-12-29 — — EP disclosed
WO-1998038194-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1998-09-03 — — WO 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-20030055031-A1 Methods of using thiazolobenzoheterocycles SLCO2B1, SLCO1B1, CYP21A2 AR 1167/4885MTNR1A 2196/4885SRD5A1 45/4885

“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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