SCHEMBL5886153

SCHEMBL5886153

Cc1cc(C#CCN(Cc2ccccc2)c2cccc(C#N)c2)ccc1C(=O)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.48
ACACB O00763 1/20 0.43
KDM1A O60341 4/20 0.42
CCR5 P51681 2/20 0.40
KCNH2 Q12809 1/20 0.40
DPP7 Q9UHL4 1/20 0.38
PTGES O14684 2/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
NR3C1 P04150 1/20 0.37
CCKBR P32239 1/20 0.37
FAAH O00519 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
SCHEMBL5885776 0.91 KDM1A (0.39) ARACACBKDM1ACCR5KCNH2
SCHEMBL5885627 0.90 PDK1 (0.40) ARACACBKDM1ADPP7PTGES
SCHEMBL5885722 0.90 ELANE (0.41) ARACACB
SCHEMBL5885843 0.89 ACACB (0.41) ARACACBKDM1ACCR5KCNH2
SCHEMBL5885777 0.88 ACACB (0.39) ARACACBKDM1ACCR5KCNH2
SCHEMBL5885594 0.86 ACACB (0.42) ARACACB
SCHEMBL5886050 0.86 ACACB (0.45) ARACACBDPP7CCKBR
Hydrochloric Acid SCHEMBL5885611 0.85 ACACB (0.41) ARACACB
SCHEMBL5885457 0.85 MEN1 (0.43) KDM1APTGESMEN1NPC1KMT2A
SCHEMBL5885754 0.85 ACACB (0.40) ARACACBCCKBR

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 AR 1214/4885ACACB 2639/4885KDM1A 2628/4885

“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.