SCHEMBL146674

SCHEMBL146674

O=C(NC1CCN(C2CCN(C(=O)CCc3ccc(C(F)(F)F)cc3)CC2)C1)c1ccc2[nH]nnc2c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 10/20 0.50
ENPP2 Q13822 2/20 0.45
MCHR1 Q99705 2/20 0.42
DRD4 P21917 3/20 0.41
DRD2 P14416 2/20 0.40
ATXN2 Q99700 1/20 0.40
CCR2 P41597 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL16252471 0.92 ENPP2 (0.47) SLC6A5ENPP2MCHR1DRD4DRD2
SCHEMBL116949 0.87 SLC6A5 (0.55) SLC6A5ENPP2ATXN2
SCHEMBL117453 0.84 HRH3 (0.43) ENPP2ATXN2
SCHEMBL117412 0.84 HRH3 (0.43) ENPP2ATXN2
SCHEMBL23252435 0.84 ENPP2 (0.43) ENPP2MCHR1DRD4ATXN2
SCHEMBL118275 0.81 ENPP2 (0.45) ENPP2MCHR1ATXN2
SCHEMBL23252420 0.80 CRBN (0.49) SLC6A5
SCHEMBL18464186 0.78 ENPP2 (0.60) ENPP2DRD4ATXN2
SCHEMBL18464309 0.77 ENPP2 (0.60) ENPP2DRD4ATXN2
SCHEMBL21323349 0.77 ENPP2 (0.43) ENPP2MCHR1ATXN2

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
EP-2623101-B1 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2021-04-21 EP disclosed
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-08 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-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E SLC6A5 4376/4885ENPP2 1/4885MCHR1 4328/4885

“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.