SCHEMBL3753422

SCHEMBL3753422

NCC(=O)N1CCN(C(=O)c2ccccc2F)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.68
HTT P42858 5/20 0.61
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 4/20 0.59
LMNA P02545 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
TP53 P04637 1/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
USP2 O75604 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPK14 Q16539 1/20 0.55
MEN1 O00255 2/20 0.52

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
SCHEMBL22305400 0.87 TSHR (0.80) TSHRHTTALDH1A1KDM4ELMNA
SCHEMBL11715149 0.87 TSHR (0.80) TSHRHTTALDH1A1KDM4ELMNA
SCHEMBL3759197 0.83 RAB9A (0.49) TSHRHTTALDH1A1KDM4EUSP2
SCHEMBL3762963 0.83 CA12 (0.56) TSHRHTTALDH1A1L3MBTL1CA12
SCHEMBL3757675 0.83 LMNA (0.65) TSHRHTTALDH1A1KDM4ELMNA
SCHEMBL3759056 0.82 HDAC8 (0.53) TSHRALDH1A1KDM4EL3MBTL1
SCHEMBL3762764 0.81 RAB9A (0.68) HTTALDH1A1KDM4ELMNACA12
SCHEMBL3757745 0.81 HTT (0.69) TSHRHTTALDH1A1LMNAUSP2
SCHEMBL3764910 0.81 ALDH1A1 (0.61) TSHRHTTALDH1A1LMNAL3MBTL1
SCHEMBL3760554 0.81 TSHR (0.49) TSHRHTTALDH1A1L3MBTL1USP2

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 TSHR 4601/4885HTT 3358/4885ALDH1A1 969/4885

“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.