SCHEMBL2517860

SCHEMBL2517860

N#Cc1ccc(C(O)c2ccc(CF)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.47
LOXL2 Q9Y4K0 2/20 0.44
CYP2A6 P11509 1/20 0.44
ALOX5 P09917 1/20 0.41
IDO1 P14902 2/20 0.40
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
HTT P42858 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
SCHEMBL10270726 0.84 LOXL2 (0.58) LOXL2CYP2A6IDO1CA12CA2
SCHEMBL691258 0.84 CA2 (0.52) LSSLOXL2CYP2A6CA12CA2
SCHEMBL12229945 0.81 CYP2A6 (0.48) LOXL2CYP2A6ALOX5IDO1MAOA
SCHEMBL2515185 0.79 CA2 (0.43) LSSCYP2A6CA12CA2CA3
SCHEMBL1349663 0.79 KDM4E (0.48) LSSCA12CA2CA3CA6
SCHEMBL23541336 0.78 BRD4 (0.48) LSSCYP2A6CA12CA2CA3
SCHEMBL9553356 0.78 LOXL2 (0.52) LOXL2CYP2A6IDO1CA12CA2
SCHEMBL9552723 0.78 LOXL2 (0.52) LOXL2CYP2A6IDO1CA12CA2
SCHEMBL9553015 0.78 LOXL2 (0.52) LOXL2CYP2A6IDO1CA12CA2
SCHEMBL5664054 0.76 LSS (0.55) LSSCA12CA2CA3CA6

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-8034949-B2 Pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-11 US disclosed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 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-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same CNR1, CNR2, OPRD1 LSS 2738/4885LOXL2 3021/4885CYP2A6 655/4885

“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.