SCHEMBL794384

SCHEMBL794384

CC(C)(C)N(Cc1ccc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)nc1Br)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.33
SCD O00767 4/20 0.32
FFAR4 Q5NUL3 2/20 0.32
CYP3A4 P08684 4/20 0.31
TSHR P16473 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MCHR1 Q99705 1/20 0.31
USP2 O75604 2/20 0.31
HPGD P15428 1/20 0.31
UBE2M P61081 1/20 0.30
DCUN1D1 Q96GG9 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
SCHEMBL799014 0.83 SCD (0.42) SCDFFAR4CYP3A4TSHRCYP1A2
SCHEMBL12467260 0.82 TACR1 (0.35) TACR1SCDFFAR4CYP3A4TSHR
SCHEMBL795069 0.81 CNR2 (0.31) SCD
SCHEMBL794132 0.81 SCD (0.35) SCDCYP3A4TSHRCYP1A2CYP2D6
SCHEMBL794182 0.81 TACR1 (0.31) TACR1UBE2MDCUN1D1
SCHEMBL12467053 0.80 CYP3A4 (0.33) TACR1SCDCYP3A4TSHRCYP1A2
SCHEMBL807621 0.80 CACNA1H (0.40) TACR1TSHRCYP2D6MCHR1
SCHEMBL15474198 0.78 SCD (0.33) SCD
SCHEMBL15472391 0.76 SCD (0.32) SCD
SCHEMBL798795 0.75 HRH3 (0.34) SCDCYP3A4TSHRCYP1A2CYP2D6

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-9375000-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 US disclosed
US-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 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-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES DDT, ACHE, CAT TACR1 652/4885SCD 3104/4885FFAR4 3216/4885

“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.