SCHEMBL146591

SCHEMBL146591

O=C(O)N1CCC(Cl)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL5184241 0.82 MAPT (0.38) MAPTALDH1A1TSHRHPGDLMNA
SCHEMBL587681 0.81 LMNA (0.53) MAPTALDH1A1TSHRLMNARAB9A
SCHEMBL1936310 0.80 HSD11B1 (0.37) ALDH1A1TSHRHPGDL3MBTL1
SCHEMBL15140649 0.79 HPGD (0.39) MAPTALDH1A1TSHRHPGDLMNA
SCHEMBL23887179 0.78 ALDH1A1 (0.37) MAPTALDH1A1TSHRHPGDLMNA
SCHEMBL8309136 0.78 HSD11B1 (0.36) ALDH1A1LMNAL3MBTL1
SCHEMBL1934485 0.78 DPP4 (0.37) ALDH1A1TSHRHPGDLMNAKMT2A
SCHEMBL169000 0.78 GRM5 (0.42) MAPTTSHRLMNARAB9ADPP4
SCHEMBL1137939 0.77 LMNA (0.41) MAPTLMNAMEN1KMT2ACA12
SCHEMBL4509387 0.77 LMNA (0.37) MAPTALDH1A1TSHRHPGDLMNA

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-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 MAPT 3630/4885ALDH1A1 2635/4885TSHR 2653/4885

“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.