SCHEMBL9917316

SCHEMBL9917316

CC(C)(C)CCc1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.50
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ESR1 P03372 1/20 0.44
TP53 P04637 1/20 0.44
PGR P06401 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
AR P10275 1/20 0.44
MAPT P10636 1/20 0.44
DRD1 P21728 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
PDE4A P27815 1/20 0.44
CASP1 P29466 1/20 0.44

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
SCHEMBL11471880 0.85 ACLY (0.48) IDO1CYP3A4MAPK1CYP1A2CYP2C9
SCHEMBL12562215 0.84 TP53 (0.39) IDO1CYP3A4MAPK1CYP1A2CYP2C9
SCHEMBL14217011 0.82 PSEN1 (0.35) IDO1CYP3A4MAPK1CYP2C9CYP2C19
SCHEMBL19481165 0.81 GGPS1 (0.31) IDO1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL21404199 0.81 PYCR1 (0.44) MAPK1MEN1SLC6A4KMT2AKCNH2
SCHEMBL30632028 0.81 PYCR1 (0.44) MAPK1MEN1SLC6A4KMT2AKCNH2
SCHEMBL11621292 0.80 IDO1 (0.65) IDO1CYP3A4MAPK1CYP1A2CYP2C9
SCHEMBL6886022 0.79 GGPS1 (0.55) IDO1CYP3A4MAPK1CYP1A2CYP2C9
SCHEMBL16302165 0.79 ACLY (0.53) ACLYCNR1
SCHEMBL426435 0.77 IDO1 (0.56) IDO1CYP3A4MAPK1CYP1A2CYP2C9

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2023-01-26 US disclosed
US-20210186970-A1 SELECTIVE CALCIUM CHANNEL ANTAGONISTS NORTHWESTERN UNIVERSITY 2021-06-24 US disclosed
US-20190167685-A1 SELECTIVE CALCIUM CHANNEL ANTAGONISTS NORTHWESTERN UNIVERSITY 2019-06-06 US disclosed
US-20170355700-A1 PYRAZOLOPYRIMIDINE ANTIBACTERIAL AGENTS NORTHERN ILLINOIS RESEARCH FOUNDATION 2017-12-14 US disclosed
US-20170355700-A1 PYRAZOLOPYRIMIDINE ANTIBACTERIAL AGENTS NORTHERN ILLINOIS RESEARCH FOUNDATION 2017-12-14 US disclosed
US-20160310491-A1 SELECTIVE CALCIUM CHANNEL ANTAGONISTS NORTHWESTERN UNIVERSITY 2016-10-27 US disclosed
US-9428467-B2 Selective calcium channel antagonists NORTHWESTERN UNIVERSITY (US) 2016-08-30 US disclosed
US-9201014-B2 Development of photostable near-IR cyanine dyes for in vivo imaging NATIONAL UNIVERSITY OF SINGAPORE (SG) 2015-12-01 US disclosed
US-9149463-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANDFORD JUNIOR UNIVERSITY (US) 2015-10-06 US disclosed
US-9101628-B2 Methods and composition of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-08-11 US disclosed
US-7816377-B2 Tubulysin analogues R&D-BIOPHARMACEUTICALS GMBH (DE) 2010-10-19 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 US disclosed
US-20090312334-A1 Immunomodulating Heterocyclic Compounds MEDIGENE LIMITED (GB) 2009-12-17 US disclosed
US-7598247-B2 Immunomodulating heterocyclic compounds MEDIGENE LIMITED (GB) 2009-10-06 US disclosed
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
US-20080045527-A1 Immunomodulating Heterocyclic Compounds MEDIGENE LIMITED (GB) 2008-02-21 US disclosed
US-7276505-B2 Immunomodulating heterocyclic compounds MEDIGENE LIMITED (GB) 2007-10-02 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 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 (11 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-20190167685-A1 SELECTIVE CALCIUM CHANNEL ANTAGONISTS CACNA1C, CACNA1B, CACNA1G IDO1 3172/4885CYP3A4 4746/4885MAPK1 2881/4885
US-20160310491-A1 SELECTIVE CALCIUM CHANNEL ANTAGONISTS CACNA1C, CACNA1B, CACNA1G IDO1 3172/4885CYP3A4 4746/4885MAPK1 2881/4885
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 IDO1 2519/4885CYP3A4 2026/4885MAPK1 4363/4885
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 IDO1 2671/4885CYP3A4 463/4885MAPK1 4561/4885
US-20090312334-A1 Immunomodulating Heterocyclic Compounds CD40, CD40LG, NGFR IDO1 280/4885CYP3A4 2121/4885MAPK1 2034/4885
US-20170355700-A1 PYRAZOLOPYRIMIDINE ANTIBACTERIAL AGENTS DHPS, FDPS, IMPDH1 IDO1 791/4885CYP3A4 73/4885MAPK1 448/4885
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS CFD, CFH, TFPI IDO1 4649/4885CYP3A4 2309/4885MAPK1 824/4885
US-20080045527-A1 Immunomodulating Heterocyclic Compounds CD40, CD40LG, NGFR IDO1 280/4885CYP3A4 2121/4885MAPK1 2034/4885
US-20070021428-A1 Immunomodulating heterocyclic compounds CD40, CD40LG, NGFR IDO1 208/4885CYP3A4 2109/4885MAPK1 2194/4885
US-20210186970-A1 SELECTIVE CALCIUM CHANNEL ANTAGONISTS CACNA1C, CACNA1B, CACNA1G IDO1 3172/4885CYP3A4 4746/4885MAPK1 2881/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 IDO1 2519/4885CYP3A4 2026/4885MAPK1 4363/4885

“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.