SCHEMBL4894114

SCHEMBL4894114

NC(=O)CN(Cc1cnc[nH]1)c1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.46
▸ FNTA P49354 1/20 0.43
▸ FNTB P49356 1/20 0.43
▸ PGGT1B P53609 1/20 0.43

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
SCHEMBL4894118 0.80 TAAR1 (0.50) TAAR1HRH3FNTAFNTBPGGT1B
SCHEMBL8204606 0.79 TAAR1 (0.73) TAAR1
SCHEMBL8211275 0.76 TAAR1 (0.71) TAAR1HRH3
SCHEMBL4894175 0.72 SSTR4 (0.45) TAAR1FNTAFNTBPGGT1B
SCHEMBL8204601 0.70 TAAR1 (0.74) TAAR1
SCHEMBL686528 0.66 — —
SCHEMBL24763682 0.65 TAAR1 (0.47) TAAR1HRH3
SCHEMBL632033 0.65 TAAR1 (0.68) TAAR1FNTAFNTB
SCHEMBL631943 0.65 TAAR1 (0.73) TAAR1
SCHEMBL10229128 0.65 TAAR1 (0.73) TAAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312287-A1 Compound and Methods For the Treatment of Cancer and Malaria UNIVERSITY OF WASHINGTON (US) 2008-12-18 — — 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-20080312287-A1 Compound and Methods For the Treatment of Cancer and Malaria AKR1C3, NR1H3, HCCS TAAR1 3105/4885HRH3 365/4885FNTA 18/4885

“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.

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