Sugi Predict

Sugi Predict / Compounds / SCHEMBL5885276

SCHEMBL5885276

SCHEMBL5885276

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 4/20 0.34
▸ MCOLN3 Q8TDD5 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ TSPO P30536 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ NPY2R P49146 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ AGTR2 P50052 1/20 0.32
▸ FFAR1 O14842 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 0.93 GRM5 (0.34) GRM5MCOLN3CYP1A2PDCD1CD274
SCHEMBL5885804 0.87 LMNA (0.44) MCOLN3TRPM8ADRB3SLC6A2HTR1D
SCHEMBL5885586 0.87 F10 (0.37) SMN1; SMN2AGTR2LMNAACACB
Hydrochloric Acid SCHEMBL5885603 0.86 F10 (0.36) SMN1; SMN2AGTR2ACACB
SCHEMBL5885378 0.79 F2 (0.34) AGTR2LMNAPPARGACACB
Hydrochloric Acid SCHEMBL5885784 0.79 F2 (0.34) AGTR2LMNAPPARGACACB
SCHEMBL5885272 0.78 GRM5 (0.33) GRM5CYP1A2PDCD1CD274SMN1; SMN2
SCHEMBL5886000 0.74 GFER (0.35) GRM5CYP1A2PDCD1CD274SMN1; SMN2
SCHEMBL5885758 0.74 GRM5 (0.33) GRM5CYP1A2PDCD1CD274PPARG
SCHEMBL5885565 0.73 LMNA (0.42) SMN1; SMN2OPRM1AGTR2LMNAPPARG

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 GRM5 2226/4885MCOLN3 3312/4885CYP1A2 59/4885

“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.