SCHEMBL2515975

SCHEMBL2515975

N#Cc1ccc(C(Cl)c2ccc(C(F)F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.40
CYP2A6 P11509 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CYP2C19 P33261 1/20 0.36
KIF11 P52732 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34

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
SCHEMBL691038 0.89 CYP19A1 (0.47) CYP19A1CYP2A6ALDH1A1CA12CA2
SCHEMBL5322427 0.89 CYP19A1 (0.47) CYP19A1CYP2A6ALDH1A1CA12CA2
SCHEMBL2518114 0.81 MAOA (0.55) CYP19A1CYP2A6ALDH1A1CA12CA2
SCHEMBL9161512 0.81 TSHR (0.54) CYP19A1CYP2A6ALDH1A1CA12CA2
SCHEMBL9161559 0.79 MAOB (0.53) CYP19A1CYP2A6ALDH1A1CA12CA2
SCHEMBL2515185 0.79 CA2 (0.43) CYP19A1CYP2A6ALDH1A1CA12CA2
SCHEMBL9161623 0.79 ALDH1A1 (0.67) CYP19A1CYP2A6ALDH1A1CA12CA2
SCHEMBL14473276 0.79 CYP2A6 (0.43) CYP19A1CYP2A6ALDH1A1CA12CA2
SCHEMBL27681566 0.78 LOXL2 (0.48) CYP19A1CYP2A6ALDH1A1CA12CA2
SCHEMBL1342407 0.75 CYP19A1 (0.47) CYP19A1CYP2A6ALDH1A1CA12CA2

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 4 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
EP-1748980-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2007-02-07 EP disclosed
WO-2005115977-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2005-12-08 WO 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 CYP19A1 1006/4885CYP2A6 655/4885ALDH1A1 2888/4885

“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.