SCHEMBL3758799

SCHEMBL3758799

NCC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.63
GLA P06280 1/20 0.63
HPGD P15428 1/20 0.63
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
P2RX7 Q99572 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL3762764 0.83 RAB9A (0.68) HPGDKMT2AMEN1KDM4EHSD17B10
SCHEMBL3757675 0.81 LMNA (0.65) HPGDKMT2AMEN1KDM4EMAPT
SCHEMBL3758796 0.79 NPC1 (0.65) NPC1GLAHPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL6987606 0.76 GRM5 (0.59) GLAKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL23064287 0.75 GAA (0.67) NPC1GLAHPGDKMT2AMEN1
SCHEMBL3757796 0.75 BLM (0.70) HPGDKMT2AMEN1KDM4EHSD17B10
SCHEMBL7446407 0.75 HPGD (0.69) NPC1GLAHPGDKMT2AMEN1
SCHEMBL6807257 0.75 NPC1 (0.69) NPC1GLAHPGDKMT2AMEN1
SCHEMBL1222429 0.74 LMNA (0.67) SMN1; SMN2KDM4EHSD17B10MAPTRAB9A
SCHEMBL1222639 0.74 P2RX7 (0.56) SMN1; SMN2KDM4EMAPTP2RX7TSHR

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 NPC1 206/4885GLA 2878/4885HPGD 503/4885

“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.