SCHEMBL83342

SCHEMBL83342

Brc1ccccc1NC1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
HTR3A P46098 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
BRD4 O60885 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
NSD2 O96028 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 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 SCHEMBL70374 0.98 HRH1 (0.49) HRH1SIGMAR1HTR3EHTR3BCHRM4
SCHEMBL27902978 0.86 HTR3E (0.57) HRH1SIGMAR1HTR3EHTR3BCHRM4
Hydrochloric Acid SCHEMBL28168296 0.84 HTR3E (0.56) HRH1SIGMAR1HTR3EHTR3BCHRM4
SCHEMBL27638731 0.82 HTR3E (0.58) HRH1SIGMAR1HTR3EHTR3BCHRM4
SCHEMBL16333934 0.82 HTR3E (0.63) HRH1SIGMAR1HTR3EHTR3BCHRM4
SCHEMBL3677154 0.81 KDM4E (0.61) HRH1SIGMAR1HTR3EHTR3BCHRM4
SCHEMBL83169 0.78 CYP1A2 (0.48) BRD4ATAD2NSD2KDM4EGAA
SCHEMBL377687 0.78 KDM4E (0.53) BRD4ATAD2NSD2KDM4EGAA
SCHEMBL13394204 0.78 CHEK2 (0.44) HRH1SIGMAR1BRD4ATAD2NSD2
SCHEMBL82901 0.78 BRD4 (0.54) BRD4ATAD2NSD2KDM4EGAA

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 HRH1 3572/4885SIGMAR1 3181/4885HTR3E 3731/4885

“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.