SCHEMBL4894175

SCHEMBL4894175

CC(C)(C)OC(=O)NCCN(Cc1cnc[nH]1)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 2/20 0.45
▸ GBA1 P04062 1/20 0.45
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ PGGT1B P53609 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.40
▸ SSTR2 P30874 1/20 0.40
▸ FPR3 P25089 1/20 0.38
▸ FPR2 P25090 1/20 0.38

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
SCHEMBL1433076 0.79 MAPT (0.49) FPR3FPR2
SCHEMBL4893197 0.79 FNTA (0.45) FNTAFNTBPGGT1BFPR3FPR2
SCHEMBL29066264 0.74 CKS1B (0.49) FPR3FPR2
SCHEMBL8204606 0.72 TAAR1 (0.73) TAAR1
SCHEMBL4894114 0.72 TAAR1 (0.47) FNTAFNTBPGGT1BTAAR1
SCHEMBL19816492 0.71 QPCT (0.55) —
SCHEMBL24329996 0.69 TMEM97 (0.48) FPR3FPR2
SCHEMBL20313968 0.69 MTNR1A (0.54) —
SCHEMBL3162868 0.69 TAAR1 (0.54) TAAR1
SCHEMBL9573408 0.69 HRH3 (0.48) —

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 2 patents. 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
WO-2006102159-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF MALARIA AND CANCER YALE UNIVERSITY (US) 2006-09-28 — — WO 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 SSTR4 1959/4885GBA1 1466/4885FNTA 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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