SCHEMBL3682101

SCHEMBL3682101

CC1CNCCN1c1nccc2occc12

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 17/20 0.60
▸ HTR2A P28223 16/20 0.41
▸ HTR2B P41595 16/20 0.41
▸ LATS1 O95835 1/20 0.38
▸ GSK3B P49841 1/20 0.37

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
SCHEMBL14094443 0.77 HTR2C (0.59) HTR2CHTR2AHTR2BLATS1GSK3B
SCHEMBL1205270 0.77 HTR2C (0.59) HTR2CHTR2AHTR2BLATS1GSK3B
SCHEMBL15985852 0.77 ATR (0.49) HTR2C
SCHEMBL1026755 0.76 HTR2C (1.00) HTR2C
SCHEMBL30297584 0.76 HTR2C (1.00) HTR2C
SCHEMBL3683610 0.73 HTR2C (0.41) HTR2CHTR2AHTR2BLATS1GSK3B
SCHEMBL3690829 0.72 HTR2C (0.66) HTR2CHTR2A
SCHEMBL27581051 0.72 GSK3B (0.39) HTR2CHTR2AHTR2BLATS1GSK3B
SCHEMBL27581053 0.72 GSK3B (0.39) HTR2CHTR2AHTR2BLATS1GSK3B
SCHEMBL6177869 0.72 HTR2A (0.44) HTR2CHTR2AHTR2BLATS1GSK3B

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
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 — — US claimed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 — — US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 — — US disclosed
EP-1724267-A1 PYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2006-11-22 — — 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 (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-20070197551-A1 Pyrimidine derivatives HTR3B, HTR3A, HTR1A HTR2C 14/4885HTR2A 12/4885HTR2B 11/4885

“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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