SCHEMBL3753875

SCHEMBL3753875

Cc1ccc(C(=O)N2CCN(C(=O)CN)CC2)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
HTT P42858 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 2/20 0.44
P2RX7 Q99572 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
PKM P14618 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL3757745 0.82 HTT (0.69) LMNAHTTMAPTTSHRALDH1A1
SCHEMBL24910640 0.81 LMNA (0.53) LMNAHTTSMN1; SMN2KDM4EMEN1
SCHEMBL11961209 0.81 HRH4 (0.54) LMNAHTTSMN1; SMN2KDM4EMEN1
SCHEMBL15692312 0.81 HTT (0.62) LMNAHTTSMN1; SMN2KDM4EMEN1
SCHEMBL4160200 0.81 HPGD (0.58) LMNAHTTSMN1; SMN2KDM4EMEN1
SCHEMBL11960839 0.81 SMN1; SMN2 (0.52) LMNAHTTSMN1; SMN2KDM4EMEN1
SCHEMBL3753870 0.81 LMNA (0.50) LMNAHTTSMN1; SMN2KDM4EMEN1
SCHEMBL24016907 0.80 KMT2A (0.60) LMNAHTTSMN1; SMN2KDM4EMEN1
SCHEMBL13503932 0.78 HTT (0.50) LMNAHTTSMN1; SMN2KDM4EMEN1
SCHEMBL12882367 0.77 HCRTR1 (0.47) LMNAHTTKDM4EMEN1KMT2A

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 LMNA 2028/4885HTT 3358/4885SMN1; SMN2 4076/4885

“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.