SCHEMBL2514792

SCHEMBL2514792

CCOC(=O)[C@H]1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C[C@@H]1NC(=O)c1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
EPHX2 P34913 1/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CHRNA7 P36544 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37

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
SCHEMBL5252724 1.00 TAS1R3 (0.40) TAS1R3TAS1R1CYP2C9CYP2D6SLC6A9
SCHEMBL5252394 0.85 TP53 (0.41) CYP2C9CYP2D6SLC6A9SLC6A5EPHX2
SCHEMBL2517186 0.85 TP53 (0.41) CYP2C9CYP2D6SLC6A9SLC6A5EPHX2
SCHEMBL5250135 0.85 TP53 (0.41) CYP2C9CYP2D6SLC6A9SLC6A5EPHX2
SCHEMBL2516227 0.85 TP53 (0.41) CYP2C9CYP2D6SLC6A9SLC6A5EPHX2
SCHEMBL2522593 0.84 CYP2C9 (0.40) CYP2C9CYP2D6SLC6A9SLC6A5EPHX2
SCHEMBL15933111 0.82 SLC6A9 (0.41) CYP2C9CYP2D6SLC6A9SLC6A5EPHX2
SCHEMBL5255473 0.82 EPHX2 (0.41) CYP2C9CYP2D6SLC6A9SLC6A5EPHX2
SCHEMBL2517127 0.82 EPHX2 (0.41) CYP2C9CYP2D6SLC6A9SLC6A5EPHX2
SCHEMBL5258357 0.81 SLC6A9 (0.43) CYP2C9CYP2D6SLC6A9SLC6A5EPHX2

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 TAS1R3 1968/4885TAS1R1 1621/4885CYP2C9 375/4885

“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.