SCHEMBL2702455

SCHEMBL2702455

O=[C]C1CNCCN1c1ncccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.56
▸ HTR2C P28335 9/20 0.48
▸ HTR2B P41595 9/20 0.48
▸ HTR2A P28223 7/20 0.48
▸ TRPV1 Q8NER1 5/20 0.42
▸ HSD11B1 P28845 4/20 0.41
▸ GAA P10253 1/20 0.40

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
SCHEMBL4630938 0.81 HTR2C (0.47) HTR2CHTR2BHTR2A
SCHEMBL3409778 0.79 EPHX2 (0.58) EPHX2HTR2CHTR2BHTR2ATRPV1
SCHEMBL4629662 0.79 HTR2C (0.45) HTR2CHTR2BHTR2AHSD11B1
SCHEMBL20555976 0.75 EPHX2 (0.53) EPHX2HTR2CHTR2BHTR2ATRPV1
SCHEMBL233710 0.73 EPHX2 (1.00) EPHX2TRPV1HSD11B1GAA
Hydrochloric Acid SCHEMBL10319192 0.72 EPHX2 (0.97) EPHX2TRPV1HSD11B1GAA
Piperazine SCHEMBL5324447 0.72 EPHX2 (0.97) EPHX2TRPV1HSD11B1GAA
SCHEMBL4630341 0.71 EPHX2 (0.47) EPHX2HTR2CHTR2BHTR2ATRPV1
SCHEMBL5356587 0.69 EPHX2 (0.89) EPHX2TRPV1HSD11B1GAA
SCHEMBL31419319 0.68 EPHX2 (0.64) EPHX2HSD11B1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2287162-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 — — EP disclosed
EP-2287161-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 — — EP disclosed
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 — — US disclosed
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 — — US disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 — — EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — 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-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 EPHX2 3735/4885HTR2C 11/4885HTR2B 22/4885

“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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