SCHEMBL3768547

SCHEMBL3768547

NCC(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.57
NPC1 O15118 1/20 0.57
HSD11B1 P28845 1/20 0.56
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL2820349 0.89 SCN5A (0.50) P2RX7NPC1HSD11B1
Hydrochloric Acid SCHEMBL2818341 0.88 SCN5A (0.49) P2RX7NPC1HSD11B1
SCHEMBL1222639 0.86 P2RX7 (0.56) P2RX7
SCHEMBL3759056 0.83 HDAC8 (0.53) ALDH1A1
SCHEMBL3768543 0.82 P2RX7 (0.59) P2RX7NPC1HSD11B1MEN1ALDH1A1
SCHEMBL3757028 0.82 HPGD (0.56) NPC1MEN1KMT2A
SCHEMBL12882367 0.81 HCRTR1 (0.47) P2RX7HSD11B1MEN1ALDH1A1KMT2A
SCHEMBL3764229 0.81 HCRTR1 (0.44) ALDH1A1
SCHEMBL3762764 0.80 RAB9A (0.68) P2RX7MEN1ALDH1A1KMT2A
SCHEMBL3759008 0.79 HPGD (0.52) ALDH1A1

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-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US claimed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US claimed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 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-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 P2RX7 4273/4885NPC1 206/4885HSD11B1 541/4885

“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.