SCHEMBL372613

SCHEMBL372613

CC(C)OC(=O)N(C(C)C)C(O)C#Cc1cnc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
RAB9A P51151 7/20 0.37
KDM4E B2RXH2 5/20 0.37
NPC1 O15118 5/20 0.37
POLB P06746 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
MITF O75030 1/20 0.37
XBP1 P17861 1/20 0.37
PAX8 Q06710 1/20 0.37
KLF5 Q13887 1/20 0.37
KDR P35968 2/20 0.36
LCK P06239 1/20 0.36
TEK Q02763 1/20 0.36
MGAM O43451 1/20 0.36
MET P08581 1/20 0.35

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
SCHEMBL372612 0.76 ALDH1A1 (0.54) ACACBALDH1A1ABL1BCRRAB9A
SCHEMBL372206 0.74 ALDH1A1 (0.43) ACACBALDH1A1ABL1BCRRAB9A
SCHEMBL372238 0.72 TRPV1 (0.41) ACACBALDH1A1RAB9AKDM4ENPC1
SCHEMBL7546176 0.67 ALDH1A1 (0.55) ACACBALDH1A1ABL1BCRRAB9A
SCHEMBL8347922 0.67 IDO1 (0.44) KMT2AMEN1
SCHEMBL9944380 0.67 NPC1 (0.60) ALDH1A1RAB9AKDM4ENPC1TSHR
SCHEMBL853041 0.65 ALDH1A1 (0.56) ACACBALDH1A1ABL1BCRRAB9A
SCHEMBL7214768 0.65 ALDH1A1 (0.63) ACACBALDH1A1MGAMMAPTPDGFRB
SCHEMBL15112998 0.65 ALDH1A1 (0.58) ACACBALDH1A1ABL1BCRRAB9A
SCHEMBL10130641 0.64 ALDH1A1 (0.66) ACACBALDH1A1MGAMPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2261212-B1 Preparation of quinoline-substituted carbamate derivatives ABBVIE INC (US) 2016-08-31 EP disclosed
EP-2409964-B1 Process for the preparation of carbonate derivatives ABBOTT LAB (US) 2016-01-27 EP disclosed
EP-1192139-B1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBOTT LAB (US) 2012-04-18 EP disclosed
EP-2409964-A2 Preparation of substituted carbonate and carbamate derivatives Abbott Laboratories (US) 2012-01-25 EP disclosed
EP-2261212-A2 Preparation of quinoline-substituted carbonate and carbamate derivatives Abbott Laboratories (US) 2010-12-15 EP disclosed
US-7074932-B2 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2006-07-11 US disclosed
US-20060128962-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ALLEN MICHAEL S 2006-06-15 US disclosed
US-20030199696-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2003-10-23 US disclosed
US-6579986-B2 Metal-catalyzed coupling reactions for 6-o-substituted macrolide antibiotics ABBOTT LABORATORIES 2003-06-17 US disclosed
US-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2002-11-07 US disclosed
US-6417366-B2 CHEMICAL INTERMEDIATE FOR MACROLACTONE ANTIBIOTIC ABBOTT LABORATORIES 2002-07-09 US disclosed
EP-1192139-A1 PREPARATION OF QUINOLINE-SUBSTITUTED CARBONATE AND CARBAMATE DERIVATIVES Abbott Laboratories (US) 2002-04-03 EP disclosed
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2002-01-31 US disclosed
WO-2001000582-A1 PREPARATION OF QUINOLINE-SUBSTITUTED CARBONATE AND CARBAMATE DERIVATIVES ABBOTT LABORATORIES (US) 2001-01-04 WO 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 (4 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-20060128962-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 ACACB 2590/4885ALDH1A1 4601/4885ABL1 225/4885
US-20030199696-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 ACACB 2590/4885ALDH1A1 4601/4885ABL1 225/4885
US-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 ACACB 2590/4885ALDH1A1 4601/4885ABL1 225/4885
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 ACACB 2590/4885ALDH1A1 4601/4885ABL1 225/4885

“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.