SCHEMBL3764229

SCHEMBL3764229

NCC(=O)N1CCN(C(=O)c2cc(F)ccc2Br)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
ACHE P22303 1/20 0.42
SLC6A4 P31645 1/20 0.42
KDM4E B2RXH2 3/20 0.41
TDO2 P48775 1/20 0.41
POLB P06746 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL3759056 0.86 HDAC8 (0.53) KDM4EHDAC8ALDH1A1
SCHEMBL3768274 0.84 MGLL (0.51) MAPK1SMN1; SMN2ALDH1A1LMNACA12
SCHEMBL3757924 0.84 ALDH1A1 (0.40) KDM4ESMN1; SMN2ALDH1A1LMNACA12
SCHEMBL12882367 0.83 HCRTR1 (0.47) HCRTR1HCRTR2KDM4EPOLBALDH1A1
SCHEMBL2820349 0.83 SCN5A (0.50) KDM4EHDAC8USP2LMNA
Hydrochloric Acid SCHEMBL2818341 0.82 SCN5A (0.49) KDM4EHDAC8USP2SMN1; SMN2LMNA
SCHEMBL3764223 0.82 HCRTR1 (0.45) HCRTR1HCRTR2KDM4EHDAC8USP2
SCHEMBL1222670 0.81 SCD (0.48) HCRTR1HCRTR2KDM4ETDO2HDAC8
SCHEMBL3768547 0.81 P2RX7 (0.57) ALDH1A1
Hydrochloric Acid SCHEMBL1221321 0.80 SCD (0.48) HCRTR1HCRTR2KDM4ETDO2HDAC8

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 6 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
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO 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
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO 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 HCRTR1 3143/4885HCRTR2 2361/4885ACHE 3764/4885

“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.