SCHEMBL1064003

SCHEMBL1064003

NCC(=O)N1CCC(Sc2ccccc2Br)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 2/20 0.40
SIGMAR1 Q99720 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CPN1 P15169 1/20 0.36
CPB2 Q96IY4 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.35
CCR8 P51685 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL2636880 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2L3MBTL1RAB9ASIGMAR1
SCHEMBL1064001 0.82 SCD (0.38) ALDH1A1SMN1; SMN2L3MBTL1RAB9ASIGMAR1
SCHEMBL2637069 0.82 L3MBTL1 (0.39) ALDH1A1SMN1; SMN2L3MBTL1SIGMAR1L3MBTL3
SCHEMBL2636632 0.81 SCD (0.54) ALDH1A1SMN1; SMN2RAB9ASIGMAR1CHRM2
SCHEMBL69599 0.77 PTPN1 (0.41) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL71675 0.76 GPR119 (0.53) ALDH1A1
SCHEMBL2636041 0.74 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2L3MBTL1RAB9ASIGMAR1
SCHEMBL3509697 0.74 HTR7 (0.37) ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL2636571 0.73 LMNA (0.45) SMN1; SMN2SIGMAR1LMNAPOLBCCR8
SCHEMBL2637686 0.73 SCD (0.54) SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US claimed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ALDH1A1 784/4885SMN1; SMN2 3937/4885L3MBTL1 4379/4885

“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.