SCHEMBL3679174

SCHEMBL3679174

COc1cccc(C2CC[CH]CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.68
DRD2 P14416 2/20 0.57
ADRA1A P35348 5/20 0.48
HTR1A P08908 3/20 0.48
ADRA1D P25100 3/20 0.48
ADRA1B P35368 3/20 0.48
HTR2A P28223 2/20 0.47
HTR2B P41595 2/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
GID4 Q8IVV7 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL30997824 0.89 HTR2C (0.77) HTR2CDRD2ADRA1AHTR1AADRA1D
SCHEMBL1515134 0.89 HTR2C (0.77) HTR2CDRD2ADRA1AHTR1AADRA1D
SCHEMBL1515075 0.85 HTR2C (0.72) HTR2CDRD2ADRA1AHTR1AADRA1D
Methyl Alcohol SCHEMBL8097139 0.85 HTR2C (0.72) HTR2CDRD2ADRA1AHTR1AADRA1D
SCHEMBL7844832 0.85 HTR2C (0.72) HTR2CDRD2ADRA1AHTR1AADRA1D
Ammonia Solution, Strong SCHEMBL19664329 0.84 HTR2C (0.70) HTR2CDRD2ADRA1AHTR1AADRA1D
SCHEMBL2095198 0.84 HTR2C (0.70) HTR2CDRD2ADRA1AHTR1AADRA1D
SCHEMBL28695004 0.82 HTR2C (0.68) HTR2CDRD2ADRA1AHTR1AADRA1D
SCHEMBL3684647 0.81 TP53 (0.50) HTR2CDRD2ADRA1AHTR1AADRA1D
SCHEMBL3316532 0.81 HTR2C (0.66) HTR2CDRD2ADRA1AHTR1AADRA1D

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 6 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
CN-1538956-A Spiro compounds ������ҩ��ʽ���� 2004-10-20 CN 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 14/4885DRD2 172/4885ADRA1A 103/4885

“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.