SCHEMBL83025

SCHEMBL83025

Brc1ccccc1SC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HRH1 P35367 2/20 0.35
GBA1 P04062 1/20 0.35
HTR2C P28335 5/20 0.34
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
HTR7 P34969 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
IDO1 P14902 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRB2 P07550 1/20 0.31

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 SCHEMBL68997 0.98 MEN1 (0.41) MEN1KMT2ACYP1A2SLC18A3SIGMAR1
SCHEMBL3509697 0.86 HTR7 (0.37) LMNAHTR7MAOAMAOB
SCHEMBL29973661 0.82 HPGD (0.36) KMT2ACYP1A2SIGMAR1HRH1LMNA
SCHEMBL2670023 0.82 HPGD (0.36) KMT2ACYP1A2SIGMAR1HRH1LMNA
SCHEMBL15888653 0.78 HTR2C (0.50) MEN1KMT2ACYP1A2SLC18A3SIGMAR1
SCHEMBL83809 0.78 CYP1A2 (0.50) MEN1KMT2ACYP1A2SLC18A3SIGMAR1
SCHEMBL22324786 0.78 MEN1 (0.42) MEN1KMT2ACYP1A2SLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL10667309 0.76 MEN1 (0.41) MEN1KMT2ACYP1A2SLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL72071 0.76 CYP1A2 (0.49) MEN1KMT2ACYP1A2SLC18A3SIGMAR1
SCHEMBL27488742 0.75 CYP1A2 (0.47) MEN1KMT2ACYP1A2SLC18A3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 MEN1 4884/4885KMT2A 1352/4885CYP1A2 1039/4885

“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.