SCHEMBL91358

SCHEMBL91358

COCCCn1ccc2ccc(C)cc21

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
HTR7 P34969 1/20 0.50
MCL1 Q07820 10/20 0.49
P2RX7 Q99572 1/20 0.49
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
GLO1 Q04760 1/20 0.42
REN P00797 1/20 0.41

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
SCHEMBL1049671 0.83 HTR7 (0.51) HTR2AHTR2CHTR7MCL1CDK4
SCHEMBL13962823 0.83 MCL1 (0.46) HTR2AHTR2CMCL1CDK4CCND1
SCHEMBL13962828 0.83 MCL1 (0.46) HTR2AHTR2CMCL1CDK4CCND1
SCHEMBL8265371 0.83 MCL1 (0.46) HTR2AHTR2CMCL1CDK4CCND1
SCHEMBL13131405 0.82 HTR7 (0.52) HTR2AHTR2CHTR7MCL1CDK4
SCHEMBL78479 0.81 HTR7 (0.53) HTR2AHTR2CHTR7MCL1CDK4
SCHEMBL13783633 0.79 HTR2A (0.47) HTR2AHTR2CHTR7MCL1P2RX7
SCHEMBL31083788 0.79 CDK4 (0.70) HTR2AHTR2CCDK4CCND1GLO1
SCHEMBL3995842 0.79 CDK4 (0.70) HTR2AHTR2CCDK4CCND1GLO1
SCHEMBL2930757 0.79 MCL1 (0.67) MCL1GLO1

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-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US 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-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO HTR2A 1825/4885HTR2C 630/4885HTR7 1550/4885

“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.