SCHEMBL5885779

SCHEMBL5885779

Cc1cc(C#CC(Cc2ccccc2)Nc2cccc(C#N)c2)ccc1C(=O)N1CC=CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
LMNA P02545 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
FAAH O00519 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.36
CCR3 P51677 2/20 0.35
HTT P42858 1/20 0.35
FFAR1 O14842 1/20 0.35
GRIN2B Q13224 3/20 0.35
CCR5 P51681 1/20 0.35
MET P08581 1/20 0.34
NAMPT P43490 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5886160 0.91 ACACB (0.51) ACACBLMNACTSLCTSBCTSK
SCHEMBL5885788 0.86 F10 (0.40) ACACB
SCHEMBL5885461 0.85 PPARG (0.43) LMNACTSLCTSBCTSKHTT
SCHEMBL5885694 0.85 LMNA (0.43) LMNACTSLCTSBCTSKFAAH
SCHEMBL5885707 0.80 ACACB (0.38) ACACBLMNACTSLCTSBCTSK
SCHEMBL5885600 0.77 ACACB (0.49) ACACB
SCHEMBL5100654 0.75 PLA2G7 (0.43) ACACB
SCHEMBL5885699 0.75 ACACB (0.50) ACACBCTSLCTSBCTSKMAPK1
SCHEMBL5885776 0.74 KDM1A (0.39) ACACBFAAHDCUN1D1FFAR1CCR5
SCHEMBL5885889 0.71 F10 (0.38)

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 ACACB 2639/4885LMNA 947/4885CTSL 427/4885

“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.