SCHEMBL1855080

SCHEMBL1855080

OCCNc1ccnc2cc(Cl)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.82
CCR1 P32246 1/20 0.78
FERMT2 Q96AC1 4/20 0.74
NR4A2 P43354 1/20 0.67
CDK1 P06493 1/20 0.67
KDM4E B2RXH2 1/20 0.65
LMNA P02545 1/20 0.65
HTT P42858 1/20 0.65
HSD17B10 Q99714 1/20 0.65
PKM P14618 1/20 0.62
BACE1 P56817 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
CYP2D6 P10635 1/20 0.61
HPGD P15428 1/20 0.61
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL2528053 0.91 CCR1 (0.83) CYP1A2CCR1FERMT2NR4A2CDK1
SCHEMBL8738060 0.91 CYP1A2 (1.00) CYP1A2CCR1FERMT2NR4A2KDM4E
SCHEMBL11757988 0.90 CCR1 (0.86) CYP1A2CCR1FERMT2NR4A2CDK1
SCHEMBL10179919 0.89 CCR1 (0.75) CYP1A2CCR1FERMT2NR4A2CDK1
SCHEMBL23883151 0.89 CCR1 (0.84) CYP1A2CCR1FERMT2NR4A2CDK1
SCHEMBL11756506 0.89 CCR1 (0.84) CYP1A2CCR1FERMT2NR4A2CDK1
SCHEMBL11758461 0.89 CCR1 (0.84) CYP1A2CCR1FERMT2NR4A2CDK1
SCHEMBL12223755 0.88 CYP1A2 (0.77) CYP1A2CCR1FERMT2NR4A2CDK1
Hydrochloric Acid SCHEMBL11758124 0.88 CCR1 (0.82) CYP1A2CCR1FERMT2NR4A2CDK1
SCHEMBL13735646 0.86 CDK1 (0.77) CYP1A2CCR1FERMT2NR4A2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111285781-B Preparation method of cilastatin sodium key intermediate 鲁南制药集团股份有限公司 2022-08-05 CN disclosed
CN-113512001-A Preparation method of hydroxychloroquine 浙江苏泊尔制药有限公司 2021-10-19 CN disclosed
EP-3848355-A1 ASYMMETRIC BISAMINOQUINOLINES AND BISAMINOQUINOLINES WITH VARIED LINKERS AS AUTOPHAGY INHIBITORS FOR CANCER AND OTHER THERAPY The Trustees Of The University Of Pennsylvania (US) 2021-07-14 EP disclosed
EP-2890981-B1 SENESCENCE TRACERS UNIV TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2018-11-07 EP disclosed
US-9829481-B2 Senescence tracers EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2017-11-28 US disclosed
US-9829481-B2 Senescence tracers EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2017-11-28 US disclosed
US-20150168374-A1 SENESCENCE TRACERS EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2015-06-18 US disclosed
US-20150168374-A1 SENESCENCE TRACERS EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2015-06-18 US disclosed
WO-2014032737-A1 SENESCENCE TRACERS EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2014-03-06 WO disclosed
US-20110257160-A1 QUINOLINE DERIVATIVES AND USES THEREOF Board of Higher Education on behalf of Portland State University 2011-10-20 US disclosed
CN-1130345-C Amino quinoline derivatives HOFFMANN LA ROCHE (CH) 2003-12-10 CN disclosed
CN-1245168-A Amino quinoline derivatives HOFFMANN LA ROCHE (CH) 2000-02-23 CN disclosed
EP-0656353-B1 Aminochinoline derivates useful in the treatment of malaria HOFFMANN LA ROCHE (CH) 1998-06-03 EP disclosed
US-5596002-A TREATMENT OF ANTIBIOTIC RESISTANT MICROORGANISMS HOFFMANN-LA ROCHE INC. (US) 1997-01-21 US disclosed
CN-1106389-A Aminoquinoline derivatives HOFFMANN LA ROCHE (CH) 1995-08-09 CN disclosed
EP-0656353-A1 Aminochinoline derivates useful in the treatment of malaria F. HOFFMANN-LA ROCHE AG (CH) 1995-06-07 EP disclosed
US-5182275-A Intermediates for memory enhancers HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-01-26 US disclosed
US-4942168-A INTERMEDIATES FOR 1,2-DIHYDRO-3-METHYL-3H-1,4-OXAZINO 2,3-C!QU INOLINE HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-07-17 US disclosed
EP-0299345-A2 Dihydro-1,4-oxazino(2,3-c)quinolines, a process and intermediates for the preparation thereof and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-01-18 EP disclosed
US-4743601-A MEMORY ENHANCEMENT HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-05-10 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 (2 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-20110257160-A1 QUINOLINE DERIVATIVES AND USES THEREOF RECQL, QARS1, QTRT1 CYP1A2 446/4885CCR1 3594/4885FERMT2 3817/4885
US-20150168374-A1 SENESCENCE TRACERS AGER, FUCA1, FUCA2 CYP1A2 3628/4885CCR1 4752/4885FERMT2 2353/4885

“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.