SCHEMBL3687424

SCHEMBL3687424

Cc1cccc(C2CC[CH]CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.65
ACHE P22303 1/20 0.48
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ALOX15B O15296 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
TRPV6 Q9H1D0 3/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KMO O15229 1/20 0.40
HDAC4 P56524 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL1515269 0.87 HTR2C (0.74) HTR2CACHEDRD2DRD1DRD4
SCHEMBL2538410 0.83 HTR2C (0.69) HTR2CACHEDRD2DRD1DRD4
SCHEMBL3069922 0.83 HTR2C (0.69) HTR2CACHEDRD2DRD1DRD4
SCHEMBL28310702 0.82 HTR2C (0.53) HTR2CACHEDRD2DRD1DRD4
SCHEMBL3062414 0.82 HTR2C (0.67) HTR2CACHEDRD2DRD1DRD4
SCHEMBL27434393 0.82 HTR2C (0.67) HTR2CACHEDRD2DRD1DRD4
SCHEMBL21568446 0.80 HTR2C (0.65) HTR2CACHEDRD2DRD1DRD4
SCHEMBL15945570 0.78 HTR2C (0.62) HTR2CACHEDRD2DRD1DRD4
SCHEMBL19721751 0.78 HTR2C (0.62) HTR2CACHEDRD2DRD1DRD4
SCHEMBL1144081 0.78 HTR2C (1.00) HTR2CMEN1KMT2A

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
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
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 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 14/4885ACHE 3260/4885DRD2 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.