SCHEMBL372238

SCHEMBL372238

O=C(OC1CCCCC1)N(C(O)C#Cc1cnc2ccccc2c1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACACB O00763 1/20 0.37
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
MGAM O43451 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 2/20 0.34
CFTR P13569 1/20 0.34
ALOX5 P09917 1/20 0.34
CASP1 P29466 1/20 0.34
KDR P35968 1/20 0.33

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
SCHEMBL372237 0.74 ALDH1A1 (0.50) TRPV1RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL372206 0.72 ALDH1A1 (0.43) RAB9AALDH1A1NPC1SMN1; SMN2ACACB
SCHEMBL372613 0.72 ACACB (0.44) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
Biphenyl SCHEMBL372236 0.66 ALDH1A1 (0.67) TRPV1RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL8397726 0.65 TRPV1 (0.58) TRPV1RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL8347922 0.63 IDO1 (0.44) MEN1KMT2A
SCHEMBL372612 0.63 ALDH1A1 (0.54) RAB9AALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL18253192 0.63 ALDH1A1 (0.65) ALDH1A1ACACBMGAM
SCHEMBL372205 0.62 ALDH1A1 (0.56) RAB9AALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL7546176 0.61 ALDH1A1 (0.55) RAB9AALDH1A1NPC1SMN1; SMN2KMT2A

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 TRPV1 2709/4885RAB9A 1709/4885ALDH1A1 4601/4885
US-20030199696-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 TRPV1 2709/4885RAB9A 1709/4885ALDH1A1 4601/4885
US-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 TRPV1 2709/4885RAB9A 1709/4885ALDH1A1 4601/4885
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 TRPV1 2709/4885RAB9A 1709/4885ALDH1A1 4601/4885

“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.