SCHEMBL5885804

SCHEMBL5885804

CC(=O)N(c1ccc(C#CCN(C)c2cccc(C#N)c2)cc1C)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.37
ACACB O00763 1/20 0.35
OPRM1 P35372 1/20 0.35
PPARG P37231 1/20 0.34
KMT2A Q03164 1/20 0.33
CACNA2D1 P54289 1/20 0.33
TSHR P16473 1/20 0.33
FFAR1 O14842 1/20 0.33
AGTR2 P50052 1/20 0.33
MCHR1 Q99705 4/20 0.33
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK14 Q16539 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
ADRB3 P13945 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR1D P28221 1/20 0.32

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
SCHEMBL5885761 0.88 GRM5 (0.34) LMNAMCOLN3ACACBPPARGKMT2A
SCHEMBL5885276 0.87 GRM5 (0.34) LMNAMCOLN3ACACBOPRM1PPARG
SCHEMBL5885565 0.85 LMNA (0.42) LMNAACACBOPRM1PPARGAGTR2
Hydrochloric Acid SCHEMBL5885231 0.84 LMNA (0.41) LMNAACACBOPRM1PPARGAGTR2
SCHEMBL5885765 0.83 LMNA (0.45) LMNAMCOLN3ACACBKMT2ATSHR
SCHEMBL5885133 0.76 EGLN1 (0.35) LMNAACACBPPARGKMT2ATSHR
Hydrochloric Acid SCHEMBL5885911 0.75 EGLN1 (0.34) LMNAACACBPPARGKMT2ATSHR
SCHEMBL5886050 0.75 ACACB (0.45) ACACBPPARG
SCHEMBL5885378 0.74 F2 (0.34) LMNAACACBPPARGAGTR2
SCHEMBL5885273 0.74 PPARG (0.40) LMNAPPARGKMT2AFFAR1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005437-B2 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2006-02-28 US disclosed
EP-1404648-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-04-07 EP disclosed
WO-2003101942-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-11 WO disclosed
US-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-06 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-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions F2, F12, F3 LMNA 947/4885MCOLN3 3312/4885ACACB 2639/4885

“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.