SCHEMBL5111186

SCHEMBL5111186

CO[C@H](C)[C@H](N)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 12/20 0.57
HRH4 Q9H3N8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
IDH1 O75874 2/20 0.36
F7 P08709 1/20 0.36
LTA4H P09960 1/20 0.36
F3 P13726 1/20 0.36
AHR P35869 1/20 0.36
NR4A2 P43354 1/20 0.36

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
SCHEMBL5104200 0.85 SCN10A (0.43) SCN10AHRH4KDM4ELMNAHSD17B10
SCHEMBL5110664 0.85 SCN10A (0.48) SCN10AHRH4KDM4ELMNAHSD17B10
SCHEMBL4158718 0.83 SCN10A (0.57) SCN10AKDM4ELMNAHSD17B10TAAR1
SCHEMBL15157108 0.83 SCN10A (0.57) SCN10AKDM4ELMNAHSD17B10TAAR1
SCHEMBL15172655 0.83 SCN10A (0.57) SCN10AKDM4ELMNAHSD17B10TAAR1
SCHEMBL5100116 0.83 SCN10A (0.58) SCN10AHRH4KDM4ELMNAHSD17B10
SCHEMBL1479636 0.82 LMNA (0.42) SCN10AHRH4KDM4ELMNAHSD17B10
SCHEMBL5104456 0.82 LMNA (0.42) SCN10AHRH4KDM4ELMNAHSD17B10
SCHEMBL580393 0.82 LMNA (0.42) SCN10AHRH4KDM4ELMNAHSD17B10
SCHEMBL5104217 0.82 SCN10A (0.39) SCN10AHRH4IDH1

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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 SCN10A 1465/4885HRH4 589/4885KDM4E 3826/4885

“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.