SCHEMBL3971052

SCHEMBL3971052

O=CN1CC(c2ccc(C(F)(F)F)cc2)CC(c2nc(-c3ccncc3)no2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
GAA P10253 3/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
S1PR1 P21453 4/20 0.45
S1PR3 Q99500 3/20 0.45
EPHX2 P34913 2/20 0.42
KCNH2 Q12809 2/20 0.42
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3970805 0.93 LMNA (0.48) SMN1; SMN2LMNAGAAHTTFAAH
SCHEMBL3963620 0.89 PPARA (0.49) SMN1; SMN2LMNAGAAHTTS1PR1
SCHEMBL3975115 0.85 EPHX2 (0.55) SMN1; SMN2LMNAGAAHTTCYP1A2
SCHEMBL3970737 0.84 ENPP2 (0.40) SMN1; SMN2LMNAGAAHTTEPHX2
SCHEMBL3968826 0.82 F2R (0.49) SMN1; SMN2LMNAGAAHTTEPHX2
SCHEMBL2975547 0.81 EPHX2 (0.40) SMN1; SMN2LMNAGAAHTTEPHX2
SCHEMBL2929652 0.80 LMNA (0.41) SMN1; SMN2LMNAGAAHTTEPHX2
SCHEMBL640750 0.80 F2R (0.55) SMN1; SMN2LMNAGAAHTTCYP1A2
SCHEMBL3969596 0.80 F2R (0.47) GAAS1PR1KDM4EFAAHMGLL
SCHEMBL2958610 0.80 F2R (0.54) SMN1; SMN2LMNAGAAHTTCYP1A2

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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 SMN1; SMN2 3347/4885LMNA 217/4885GAA 634/4885

“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.