SCHEMBL8970167

SCHEMBL8970167

Nc1cc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.35
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
ALOX12 P18054 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL540173 0.86 MAPT (0.40) ARALDH1A1LMNAMAPTALOX12
SCHEMBL10205675 0.86 AR (0.32) AR
SCHEMBL539945 0.86 AR (0.32) AR
SCHEMBL540309 0.83 AR (0.46) AR
SCHEMBL6112946 0.82 C1S (0.36) ARALDH1A1LMNAMAPTALOX12
SCHEMBL539835 0.81 KCNJ6 (0.33) ARLMNAMAPT
SCHEMBL8975787 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL540031 0.80 AR (0.36) AR
SCHEMBL8931774 0.79 MEN1 (0.37) ARALDH1A1LMNAMAPTALOX12
SCHEMBL541199 0.79 KCNH2 (0.41) ARSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232278-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-13 US disclosed
US-8188122-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-29 US disclosed
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2011-04-07 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 (2 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-20120232278-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 AR 4257/4885ALDH1A1 261/4885LMNA 4668/4885
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES DDT, ITPR3, CYP51A1 AR 4257/4885ALDH1A1 261/4885LMNA 4668/4885

“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.