SCHEMBL3764929

SCHEMBL3764929

NCC(=O)N1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.47
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 5/20 0.45
DPP4 P27487 1/20 0.45
TSHR P16473 3/20 0.44
CYP2C9 P11712 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HPGDS O60760 1/20 0.44
RHOC P08134 1/20 0.44
RHOA P61586 1/20 0.44
USP2 O75604 5/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP1A2 P05177 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
SCHEMBL3764926 0.82 HIF1A (0.48) HIF1APOLBMEN1KMT2ASMN1; SMN2
SCHEMBL3764370 0.80 MEN1 (0.65) MEN1KMT2ASMN1; SMN2CYP3A4DPP4
SCHEMBL22019054 0.78 KCNH2 (0.55)
SCHEMBL2820382 0.77 SERPINE1 (0.47) POLBMEN1KMT2ASMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL2818775 0.76 SERPINE1 (0.46) POLBMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL3755574 0.75 POLB (0.66) POLBSMN1; SMN2CYP3A4DPP4L3MBTL1
SCHEMBL3753660 0.75 EPHX2 (0.52) MEN1KMT2ACYP3A4DPP4TSHR
SCHEMBL4274583 0.74 MEN1 (0.56) HIF1APOLBMEN1KMT2ASMN1; SMN2
SCHEMBL1222437 0.74 SCN5A (0.47) MEN1KMT2ASMN1; SMN2CYP3A4TSHR
SCHEMBL2637608 0.74 LIPE (0.46)

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 HIF1A 1672/4885POLB 1958/4885MEN1 4883/4885

“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.