SCHEMBL2821695

SCHEMBL2821695

O=C(O)C(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.50
HCRTR2 O43614 1/20 0.50
SCD O00767 3/20 0.48
RBP4 P02753 1/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR2B P41595 1/20 0.42
MAPK14 Q16539 1/20 0.42
KDM4E B2RXH2 1/20 0.42
P2RX7 Q99572 3/20 0.42
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
SMO Q99835 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
SCHEMBL2825405 0.89 HCRTR1 (0.48) HCRTR1HCRTR2SCDKDM4EP2RX7
SCHEMBL2820773 0.89 HCRTR1 (0.48) HCRTR1HCRTR2SCDCYP2C9CYP2C19
SCHEMBL938535 0.83 HCRTR1 (0.50) HCRTR1HCRTR2SCDMAPK14PSEN1
SCHEMBL2820720 0.82 HCRTR1 (0.48) HCRTR1HCRTR2SCDCYP2C19
SCHEMBL1222670 0.82 SCD (0.48) HCRTR1HCRTR2SCDCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL224268 0.82 HCRTR1 (0.49) HCRTR1HCRTR2SCDMAPK14PSEN1
Hydrochloric Acid SCHEMBL1221321 0.81 SCD (0.48) HCRTR1HCRTR2SCDCYP2C9CYP2C19
SCHEMBL4910883 0.81 SMN1; SMN2 (0.53) HCRTR1HCRTR2SCDKDM4EUSP2
SCHEMBL2820646 0.81 SMO (0.49) SCDSMN1; SMN2SMO
SCHEMBL224423 0.80 GPR119 (0.49) HCRTR1HCRTR2SCD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 HCRTR1 3143/4885HCRTR2 2361/4885SCD 1/4885

“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.