SCHEMBL89476

SCHEMBL89476

COCCOc1cc(CBr)cc2c1CCCO2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.43
HTR1A P08908 13/20 0.43
PARP1 P09874 2/20 0.34
CYP2D6 P10635 1/20 0.33
HTR2C P28335 2/20 0.33
CXCR3 P49682 2/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL89790 0.94 HTR1A (0.38) SLC6A4HTR1AHTR2CCXCR3HTR2B
SCHEMBL88826 0.88 HTR1A (0.41) SLC6A4HTR1APARP1CYP2D6CXCR3
SCHEMBL89321 0.87 HTR1A (0.41) SLC6A4HTR1APARP1CYP2D6
SCHEMBL10283463 0.87 SLC6A4 (0.41) SLC6A4HTR1APARP1CYP2D6CXCR3
SCHEMBL13132011 0.85 REN (0.41) SLC6A4HTR1AHTR2CCXCR3HTR2B
SCHEMBL88824 0.82 REN (0.37) SLC6A4HTR1APARP1CXCR3
SCHEMBL89741 0.81 ALDH1A1 (0.41) SLC6A4HTR1APARP1CYP2D6
SCHEMBL8235663 0.81 REN (0.36) SLC6A4HTR1APARP1CXCR3
SCHEMBL89264 0.81 REN (0.38) SLC6A4HTR1APARP1CXCR3
SCHEMBL31545418 0.80 ALDH1A1 (0.42) SLC6A4HTR1APARP1

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 SLC6A4 895/4885HTR1A 652/4885PARP1 2711/4885

“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.