SCHEMBL14422893

SCHEMBL14422893

CNCCOc1ncccn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 4/20 0.52
▸ HTR1D P28221 2/20 0.52
▸ CHRNB2 P17787 1/20 0.52
▸ CHRNA4 P43681 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ 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
SCHEMBL30740922 0.78 HTR1B (0.46) HTR1BCHRNB2CHRNA4
SCHEMBL19825529 0.77 CHRNB2 (0.43) HTR1BHTR1DCHRNB2CHRNA4ALDH1A1
SCHEMBL24042179 0.77 CHRNB2 (0.43) HTR1BHTR1DCHRNB2CHRNA4TAAR1
SCHEMBL2569101 0.75 HTR1B (0.55) HTR1BHTR1DCHRNB2CHRNA4HRH3
SCHEMBL12501346 0.75 HRH3 (0.44) HTR1BHTR1DCHRNB2CHRNA4HRH3
SCHEMBL22536868 0.74 HTR1B (0.52) HTR1BHTR1DCHRNB2CHRNA4HRH3
SCHEMBL7005477 0.74 ALDH1A1 (0.33) CHRNB2CHRNA4ALDH1A1
SCHEMBL14562245 0.74 MTNR1A (0.59) ALDH1A1LMNAALOX15KDM4E
SCHEMBL4280446 0.73 NPC1 (0.46) ALDH1A1KDM4E
SCHEMBL27137198 0.72 HTR1B (0.57) HTR1BHTR1DCHRNB2CHRNA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3275870-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-02-05 — — EP disclosed
EP-3275870-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2018-01-31 — — EP disclosed
US-20070185116-A1 Bicyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2007-08-09 — — US disclosed
US-20070185116-A1 Bicyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2007-08-09 — — 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-20070185116-A1 Bicyclic compounds KCNN3, KCNJ1, KCNJ2 HTR1B 983/4885HTR1D 720/4885CHRNB2 243/4885

“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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