SCHEMBL89790

SCHEMBL89790

COCCCOc1cc(CBr)cc2c1CCCO2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.38
SLC6A4 P31645 5/20 0.38
REN P00797 3/20 0.36
EHMT2 Q96KQ7 1/20 0.35
CXCR3 P49682 2/20 0.32
CHEK1 O14757 1/20 0.32
HTR2C P28335 5/20 0.31
HTR2A P28223 4/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL89476 0.94 SLC6A4 (0.43) HTR1ASLC6A4CXCR3HTR2CHTR2B
SCHEMBL13132011 0.92 REN (0.41) HTR1ASLC6A4RENEHMT2CXCR3
SCHEMBL88824 0.88 REN (0.37) HTR1ASLC6A4RENEHMT2CXCR3
SCHEMBL89264 0.87 REN (0.38) HTR1ASLC6A4RENEHMT2CXCR3
SCHEMBL8235663 0.87 REN (0.36) HTR1ASLC6A4RENEHMT2CXCR3
SCHEMBL31545418 0.86 ALDH1A1 (0.42) HTR1ASLC6A4RENEHMT2CHEK1
SCHEMBL88826 0.82 HTR1A (0.41) HTR1ASLC6A4RENCXCR3
SCHEMBL56099 0.81 ALDH1A1 (0.41) HTR1ASLC6A4REN
SCHEMBL10283463 0.81 SLC6A4 (0.41) HTR1ASLC6A4RENCXCR3
SCHEMBL89321 0.81 HTR1A (0.41) HTR1ASLC6A4REN

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
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 HTR1A 652/4885SLC6A4 895/4885REN 1/4885

“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.