SCHEMBL3759008

SCHEMBL3759008

NCC(=O)N1CCN(C(=O)c2cc(F)c(Cl)cc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.52
TSHR P16473 2/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
CPS1 P31327 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP2 O75604 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39

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
SCHEMBL3757028 0.91 HPGD (0.56) HPGDTSHRMAPTSMN1; SMN2
SCHEMBL3764261 0.88 HPGD (0.46) HPGDTSHRMAPTSMN1; SMN2CPS1
SCHEMBL3759006 0.81 HPGD (0.54) HPGDTSHRMAPTSMN1; SMN2CPS1
SCHEMBL2820349 0.79 SCN5A (0.50) HPGDTSHRMAPTUSP2HDAC8
SCHEMBL3768547 0.79 P2RX7 (0.57) ALDH1A1
SCHEMBL3759056 0.78 HDAC8 (0.53) TSHRALDH1A1L3MBTL1HDAC8
Hydrochloric Acid SCHEMBL2818341 0.78 SCN5A (0.49) HPGDTSHRMAPTSMN1; SMN2USP2
SCHEMBL1222429 0.75 LMNA (0.67) TSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL1222639 0.75 P2RX7 (0.56) TSHRMAPTSMN1; SMN2L3MBTL1
SCHEMBL3753422 0.75 TSHR (0.68) TSHRMAPTSMN1; SMN2ALDH1A1L3MBTL1

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 HPGD 503/4885TSHR 4601/4885MAPT 3595/4885

“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.