SCHEMBL3680708

SCHEMBL3680708

CCc1cccc(C2CC[CH]CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
DRD2 P14416 8/20 0.41
DRD3 P35462 3/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
HTR2C P28335 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMO O15229 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36

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
SCHEMBL22805478 0.89 SIGMAR1 (0.47) SIGMAR1DRD2DRD3DRD1DRD4
SCHEMBL5666205 0.84 DRD2 (0.49) SIGMAR1DRD2DRD3DRD1DRD4
SCHEMBL27585548 0.82 TPSAB1 (0.43) DRD2
SCHEMBL4483354 0.81 SIGMAR1 (0.42) SIGMAR1DRD2DRD3DRD1DRD4
SCHEMBL1365912 0.81 SIGMAR1 (0.42) SIGMAR1DRD2DRD3DRD1DRD4
SCHEMBL4518387 0.81 HTR2C (0.62) SIGMAR1DRD2DRD3DRD1DRD4
SCHEMBL10131923 0.79 ESR2 (0.43) SIGMAR1DRD2DRD3DRD1DRD4
Hydrochloric Acid SCHEMBL30946017 0.79 HTR2C (0.63) SIGMAR1HTR2CSLC6A2SLC6A4
SCHEMBL18617809 0.79 DRD2 (0.50) SIGMAR1DRD2DRD3DRD1DRD4
SCHEMBL9184682 0.77 SPHK1 (0.41) DRD2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1922171-B Pyrimidine derivative ASKA PHARM CO LTD 2012-10-17 CN 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
CN-1922171-A Pyrimidine derivatives ASKA PHARM CO LTD (JP) 2007-02-28 CN 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 SIGMAR1 599/4885DRD2 172/4885DRD3 117/4885

“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.