SCHEMBL2820844

SCHEMBL2820844

O=C(CNCc1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTR1A P08908 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A7 Q99884 2/20 0.43
POLB P06746 2/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
FASN P49327 2/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NAAA Q02083 1/20 0.41
PRKAA2 P54646 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
Hydrochloric Acid SCHEMBL2817759 0.99 MEN1 (0.45) MEN1KMT2AHTR1AHTR1BHTR2A
SCHEMBL1221214 0.83 KMT2A (0.49) MEN1KMT2ASLC6A7POLBHPGD
SCHEMBL3466775 0.80 SCN5A (0.46) MEN1KMT2AHTR1AHTR1BHTR2A
Hydrochloric Acid SCHEMBL3466605 0.79 SCN5A (0.45) MEN1KMT2AHTR1AHTR1BHTR2A
SCHEMBL223301 0.79 MEN1 (0.47) MEN1KMT2ASLC6A7POLBHPGD
SCHEMBL13082428 0.78 NAAA (0.41) MEN1KMT2AHTR1AHTR1BHTR2A
SCHEMBL1221107 0.77 SCN5A (0.44) MEN1KMT2AHTR2BSLC6A7SCN5A
SCHEMBL1221225 0.77 CYP2C9 (0.52) HTR2B
SCHEMBL222965 0.74 ALDH1A1 (0.48) MEN1KMT2APOLBTSHRALDH1A1
SCHEMBL224387 0.74 SERPINE1 (0.46) MEN1KMT2APOLBLMNATSHR

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 6 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 claimed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US claimed
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 MEN1 4883/4885KMT2A 1389/4885HTR1A 4241/4885

“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.