SCHEMBL7187311

SCHEMBL7187311

O=C(Nc1ccc2ccccc2c1)C1CCCN1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
RECQL P46063 1/20 0.58
PSMB8 P28062 2/20 0.56
ULK1 O75385 1/20 0.52
KHK P50053 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TERT O14746 1/20 0.49
EPHX1 P07099 1/20 0.49
SCN3A Q9NY46 2/20 0.48
SCN9A Q15858 2/20 0.48
LMNA P02545 2/20 0.48
HTR1E P28566 1/20 0.48
HTT P42858 1/20 0.48
S1PR3 Q99500 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL10913060 1.00 CYP1A2 (0.58) CYP1A2RECQLPSMB8ULK1KHK
SCHEMBL29757656 1.00 CYP1A2 (0.58) CYP1A2RECQLPSMB8ULK1KHK
SCHEMBL2293435 1.00 CYP1A2 (0.58) CYP1A2RECQLPSMB8ULK1KHK
Hydrochloric Acid SCHEMBL28580045 0.99 CYP1A2 (0.56) CYP1A2RECQLPSMB8ULK1KHK
SCHEMBL23373324 0.87 PFKFB3 (0.59) MEN1KMT2AMAPTL3MBTL1LMNA
SCHEMBL3341023 0.82 NPC1 (0.58) CYP1A2PSMB8ULK1MEN1KMT2A
SCHEMBL3343865 0.82 NPC1 (0.58) CYP1A2PSMB8ULK1MEN1KMT2A
SCHEMBL3341031 0.82 NPC1 (0.58) CYP1A2PSMB8ULK1MEN1KMT2A
SCHEMBL2172641 0.82 HPGD (0.56) CYP1A2PSMB8ULK1KHKMEN1
SCHEMBL2392383 0.82 HPGD (0.56) CYP1A2PSMB8ULK1KHKMEN1

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
US-20230114304-A1 DEPALMITOYLATING COMPOSITIONS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-04-13 US disclosed
EP-4013498-A1 DEPALMITOYLATING COMPOSITIONS AND THE USE THEREOF The Regents of the University of California (US) 2022-06-22 EP disclosed
WO-2021030703-A1 DEPALMITOYLATING COMPOSITIONS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-02-18 WO disclosed
CN-109652343-A It is a kind of degrade hexabromocyclododecane bacterial strain screening method and its application 上海交通大学 2019-04-19 CN disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US disclosed
WO-2010140636-A1 ASYMMETRIC HYDROGENATION CATALYST 高砂香料工業株式会社 (JP) 2010-12-09 WO disclosed
CN-1558947-A Gene of peptide-producing enzyme, and process for producing dipeptide ֮����ʽ���� 2004-12-29 CN disclosed
US-6596898-B2 Making a 2-fluoro-2-chlorocyclopropanecarboxylic acid derivative stereoselectively in high yield by reacting a diazoacetic acid derivative with 1-fluoro-1-chloroethylene using metal catalyst having chiral ligands DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US disclosed
US-20010051750-A1 PROCESS FOR PREPARING HALOGENATED CYCLOPROPANE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-12-13 US disclosed
EP-0858992-B1 PROCESS FOR PRODUCING HALOGENATED CYCLOPROPANE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2001-12-12 EP disclosed
EP-0858992-A1 PROCESS FOR PRODUCING HALOGENATED CYCLOPROPANE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-08-19 EP 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 (3 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 CYP1A2 1183/4885RECQL 4078/4885PSMB8 3775/4885
US-20230114304-A1 DEPALMITOYLATING COMPOSITIONS AND THE USE THEREOF LIPA, LCAT, SGMS2 CYP1A2 2732/4885RECQL 2019/4885PSMB8 2189/4885
US-20010051750-A1 PROCESS FOR PREPARING HALOGENATED CYCLOPROPANE DERIVATIVES CYP2F1, CYP4F2, CYP4F8 CYP1A2 26/4885RECQL 3378/4885PSMB8 1493/4885

“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.