SCHEMBL3676077

SCHEMBL3676077

O=C1c2ccccc2C(=O)N1CCCN1CCN(c2ccc3ccccc3n2)CC1

nearest known ligand 0.95

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.95
SLC6A4 P31645 2/20 0.68
DRD2 P14416 1/20 0.57
HTR2A P28223 1/20 0.57
HTR7 P34969 1/20 0.57
HTR6 P50406 1/20 0.57
HRH3 Q9Y5N1 1/20 0.56
HTR3A P46098 1/20 0.55

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
SCHEMBL10517940 0.84 HTR1A (0.72) HTR1ASLC6A4DRD2HRH3HTR3A
SCHEMBL14761301 0.81 HTR1A (0.65) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL13469510 0.80 HTR1A (0.79) HTR1ADRD2
SCHEMBL3679755 0.79 HTR1A (0.65) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL647772 0.79 HTR1A (0.65) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL9600934 0.79 HTR1A (0.69) HTR1ADRD2HTR7HRH3HTR3A
SCHEMBL14761873 0.79 HTR1A (0.69) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9602546 0.78 HTR1A (0.67) HTR1ADRD2HTR7HRH3HTR3A
SCHEMBL9822980 0.78 HTR1A (0.67) HTR1ASLC6A4DRD2HTR7HRH3
SCHEMBL14028451 0.77 HTR1A (0.79) HTR1ADRD2

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-1724267-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2013-11-06 EP disclosed
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 HTR1A 3/4885SLC6A4 41/4885DRD2 172/4885

“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.