SCHEMBL3681983

SCHEMBL3681983

c1cc2cocc2c(N2CCNCC2)n1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.63
HTR6 P50406 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
EPHX2 P34913 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL2076366 0.78 HTR2C (1.00) HTR2CHTR6CYP1A2ALDH1A1CYP2D6
SCHEMBL30040877 0.78 HTR2C (1.00) HTR2CHTR6CYP1A2ALDH1A1CYP2D6
SCHEMBL3690677 0.76 HTR2C (0.69) HTR2CHTR6
Hydrochloric Acid SCHEMBL1532881 0.76 HTR2C (0.97) HTR2CHTR6CYP1A2ALDH1A1CYP2D6
SCHEMBL3686156 0.75 HTR2C (0.63) HTR2CHTR6EPHX2HRH3
SCHEMBL3687371 0.75 HTR2C (0.68) HTR2CCYP1A2CYP3A4
SCHEMBL30297584 0.73 HTR2C (1.00) HTR2C
SCHEMBL1026755 0.73 HTR2C (1.00) HTR2C
SCHEMBL321658 0.73 HTR2C (0.59) HTR2C
SCHEMBL3683092 0.73 HTR2C (0.64) HTR2CHTR6

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 3 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 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 14/4885HTR6 18/4885CYP1A2 2022/4885

“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.