SCHEMBL3757028

SCHEMBL3757028

NCC(=O)N1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.56
TSHR P16473 3/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.51
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 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
SCHEMBL3759008 0.91 HPGD (0.52) HPGDTSHRMAPTSMN1; SMN2
SCHEMBL3764261 0.82 HPGD (0.46) HPGDTSHRMAPTSMN1; SMN2KDM4E
SCHEMBL2820349 0.82 SCN5A (0.50) HPGDTSHRMAPTLMNATP53
SCHEMBL3768547 0.82 P2RX7 (0.57) MEN1KMT2ANPC1
SCHEMBL3757025 0.81 HPGD (0.57) HPGDTSHRMAPTSMN1; SMN2CA12
Hydrochloric Acid SCHEMBL2818341 0.81 SCN5A (0.49) HPGDTSHRMAPTSMN1; SMN2LMNA
SCHEMBL1222429 0.78 LMNA (0.67) TSHRMAPTSMN1; SMN2LMNATP53
SCHEMBL1222639 0.78 P2RX7 (0.56) TSHRMAPTSMN1; SMN2LMNATP53
Hydrochloric Acid SCHEMBL1222493 0.77 LMNA (0.65) TSHRMAPTSMN1; SMN2LMNATP53
SCHEMBL1222370 0.76 KMT2A (0.55) TSHRSMN1; SMN2MEN1KMT2ALMNA

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.