SCHEMBL13020778

SCHEMBL13020778

CC(C)(C)Cc1cc(F)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 2/20 0.40
▸ RIPK1 Q13546 6/20 0.34
▸ IDO1 P14902 4/20 0.33
▸ AGXT P21549 2/20 0.33
▸ DPP4 P27487 2/20 0.33
▸ PKM P14618 1/20 0.32
▸ HTR2A P28223 2/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31
▸ PARK7 Q99497 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NR3C2 P08235 1/20 0.31
▸ HTR2C P28335 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30

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
SCHEMBL15667983 0.80 NR3C1 (0.36) NR3C1RIPK1DPP4PKMHTR2A
SCHEMBL4404016 0.79 RIPK1 (0.46) NR3C1RIPK1IDO1AGXTDPP4
SCHEMBL16425421 0.78 TAAR1 (0.35) RIPK1HTR2AHTR2C
SCHEMBL12870200 0.78 NR3C1 (0.39) NR3C1RIPK1HTR2ACA3CA6
SCHEMBL322033 0.77 GABRA1 (0.39) NR3C1RIPK1DPP4PKMHTR2A
SCHEMBL15107027 0.76 CA3 (0.45) RIPK1CA3CA6CA5ACA9
SCHEMBL19544101 0.76 NR3C1 (0.45) NR3C1RIPK1HTR2ANR3C2SLC6A4
SCHEMBL21685661 0.76 ALDH1A1 (0.45) RIPK1IDO1AGXTSLC6A4
SCHEMBL21767395 0.76 NR3C1 (0.38) NR3C1RIPK1IDO1AGXTDPP4
SCHEMBL31072009 0.76 NR3C1 (0.38) NR3C1RIPK1IDO1AGXTDPP4

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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 — — 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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 NR3C1 2239/4885RIPK1 3814/4885IDO1 515/4885

“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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