SCHEMBL3968896

SCHEMBL3968896

Clc1cccc(CN2CCNCC2)c1Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.70
ALDH1A1 P00352 1/20 0.70
POLB P06746 1/20 0.70
CYP2A13 Q16696 4/20 0.66
LMNA P02545 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
SIGMAR1 Q99720 2/20 0.53
DRD2 P14416 2/20 0.53
DRD3 P35462 2/20 0.53
ADRB1 P08588 1/20 0.53
CXCR4 P61073 2/20 0.51
PTPN11 Q06124 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 1/20 0.47
DRD4 P21917 1/20 0.47

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
SCHEMBL7428156 0.86 SIGMAR1 (0.66) KDM4EALDH1A1CYP2A13LMNASLC6A2
SCHEMBL538314 0.86 SIGMAR1 (0.66) KDM4EALDH1A1CYP2A13LMNASLC6A2
Hydrochloric Acid SCHEMBL2925660 0.84 LMNA (0.65) KDM4EALDH1A1CYP2A13LMNASLC6A2
Hydrochloric Acid SCHEMBL7416879 0.84 LMNA (0.65) KDM4EALDH1A1CYP2A13LMNASLC6A2
SCHEMBL2107499 0.84 ALDH1A1 (0.96) KDM4EALDH1A1POLBCYP2A13SIGMAR1
SCHEMBL2306473 0.84 CYP2A13 (0.62) KDM4EALDH1A1POLBCYP2A13SLC6A2
SCHEMBL28725885 0.83 LMNA (0.51) KDM4EALDH1A1POLBCYP2A13LMNA
SCHEMBL29738173 0.83 LMNA (0.51) KDM4EALDH1A1POLBCYP2A13LMNA
Hydrochloric Acid SCHEMBL7426972 0.82 CYP2A13 (0.61) KDM4EALDH1A1CYP2A13LMNASLC6A2
SCHEMBL29941203 0.82 ALDH1A1 (1.00) KDM4EALDH1A1POLBCYP2A13SIGMAR1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
CN-110072850-A 3-sulfonyl-5-aminopyridine-2, 4-diol APJ agonists 百时美施贵宝公司 2019-07-30 CN disclosed
CN-105399114-B Preparation method of non-agglomerated potassium carbonate ultra-fine powder 浙江大洋生物科技集团股份有限公司 2017-01-18 CN disclosed
CN-105399114-A Preparation method of non-agglomerated potassium carbonate ultra-fine powder ZHEJIANG DAYANG BIOTECH GROUP CO LTD 2016-03-16 CN disclosed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP disclosed
US-6984637-B2 Cyclic amine derivatives-CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC (US) 2006-01-10 US disclosed
EP-0903349-B1 CCR-3 receptor antagonists HOFFMANN LA ROCHE (CH) 2006-01-04 EP disclosed
US-6916812-B2 Dietetic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-12 US disclosed
US-20040266782-A1 Cyclic amine derivatives-CCR-3 receptor antagonists GONG LEYI (US) 2004-12-30 US disclosed
US-6770650-B2 CHEMOKINE RECEPTOR (CCR) ANTAGONISTS SUCH AS N-(1(S)-(4-(3,4-DICHLOROBENZYL)PIPERAZIN-1-YLMETHYL)-2-METHYLPROPYL)-4 -METHYLBENZAMIDE DIHYDROCHLORIDE SALT FOR TREATMENT OF ASTHMA SYNTEX (U.S.A.) LLC 2004-08-03 US disclosed
US-6683074-B1 PYRROLIDINYL, PIPERAZINYL AND AZEPINYL DERIVATIVES; INFLAMMATORY OR ALLERGIC DISEASES SYNTEX (U.S.A.) LLC 2004-01-27 US disclosed
US-20030232807-A1 Alpha-aminoamide derivatives as melanocortin agonists POINDEXTER GRAHAM S (US) 2003-12-18 US disclosed
US-20030153577-A1 Cyclic amine derivatives-CCR-3 receptor antagonists ROCHE BIOSCIENCE 2003-08-14 US disclosed
US-6339087-B1 FOR THERAPY OF INFLAMMATORY OR ALLERGIC DISEASES ARE SELECTED FROM ASTHMA, ALLERGIC RHINITIS, HYPERSENSITIVITY LUNG DISEASES, HYPERSENSITIVITY PNEUMONITIS, EOSINOPHILIC PNEUMONIAS, INFLAMMATORY BOWEL DISEASES, PSORIASIS, DERMATITIS SYNTEX (U.S.A.) LLC 2002-01-15 US disclosed
US-6323223-B1 CCR-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR USE AND METHODS FOR PREPARING THESE COMPOUNDS. SYNTEX (U.S.A.) LLC 2001-11-27 US disclosed
EP-0903349-A2 CCR-3 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1999-03-24 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 (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-20040266782-A1 Cyclic amine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 KDM4E 3302/4885ALDH1A1 1098/4885POLB 3681/4885
US-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R KDM4E 2981/4885ALDH1A1 1731/4885POLB 3626/4885
US-20030153577-A1 Cyclic amine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 KDM4E 3302/4885ALDH1A1 1098/4885POLB 3681/4885
US-20030232807-A1 Alpha-aminoamide derivatives as melanocortin agonists MC1R, MC5R, MC4R KDM4E 2608/4885ALDH1A1 2808/4885POLB 3800/4885

“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.