SCHEMBL372205

SCHEMBL372205

O=C(OCC#Cc1cnc2ccccc2c1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
ACACB O00763 1/20 0.43
CFTR P13569 1/20 0.43
MGAM O43451 1/20 0.42
RAB9A P51151 3/20 0.40
EGLN1 Q9GZT9 5/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
BCAT1 P54687 1/20 0.38
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
KMT2A Q03164 1/20 0.38
KDR P35968 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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 0.84 ALDH1A1 (0.54) ALDH1A1ACACBCFTRMGAMRAB9A
SCHEMBL372237 0.80 ALDH1A1 (0.50) ALDH1A1ACACBCFTRRAB9ASMN1; SMN2
SCHEMBL372485 0.78 ALDH1A1 (0.55) ALDH1A1ACACBMGAMRAB9AEGLN1
SCHEMBL6881031 0.75 ALDH1A1 (0.66) ALDH1A1ACACBMGAMRAB9AEGLN1
SCHEMBL23781693 0.74 ALDH1A1 (0.63) ALDH1A1ACACBMGAMRAB9AEGLN1
SCHEMBL372200 0.73 ALDH1A1 (1.00) ALDH1A1ACACBMGAMRAB9AKDM4E
SCHEMBL14294117 0.73 ALDH1A1 (0.62) ALDH1A1ACACBRAB9AKDM4ESMN1; SMN2
Morpholine SCHEMBL372530 0.73 ALDH1A1 (0.49) ALDH1A1ACACBMGAMRAB9AEGLN1
SCHEMBL6847857 0.72 ALDH1A1 (0.65) ALDH1A1ACACBCFTRMGAMRAB9A
SCHEMBL14268910 0.72 ALDH1A1 (0.61) ALDH1A1ACACBMGAMRAB9AEGLN1

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 12 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
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2002-01-31 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 (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 ALDH1A1 4601/4885ACACB 2590/4885CFTR 1903/4885
US-20030199696-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 ALDH1A1 4601/4885ACACB 2590/4885CFTR 1903/4885
US-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 ALDH1A1 4601/4885ACACB 2590/4885CFTR 1903/4885
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 ALDH1A1 4601/4885ACACB 2590/4885CFTR 1903/4885

“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.