SCHEMBL4116786

SCHEMBL4116786

ClCc1ccnc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.53
LOXL2 Q9Y4K0 2/20 0.47
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
PIM1 P11309 1/20 0.43
FFAR1 O14842 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CNR1 P21554 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
MIF P14174 1/20 0.40
AURKA O14965 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PRKACA P17612 1/20 0.40
ADORA2A P29274 1/20 0.40
WNT3A P56704 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL4775515 0.96 ASIC3 (0.50) ASIC3LOXL2HTR1AHTR7PIM1
SCHEMBL29558394 0.83 CCR1 (0.42) LOXL2KDM4E
SCHEMBL1681797 0.83 CCR1 (0.42) LOXL2KDM4E
SCHEMBL4128508 0.83 MAP4K4 (0.46) LOXL2CNR1KDM4EMEN1KMT2A
SCHEMBL4117407 0.81 LOXL2 (0.43) LOXL2HTR1ACYP11B1CYP11B2KDM4E
SCHEMBL4772868 0.81 LOXL2 (0.43) LOXL2ALDH1A1KDM4EMEN1HPGD
SCHEMBL4774003 0.81 CYP1A2 (0.44) LOXL2CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL4122454 0.81 CYP11B1 (0.46) LOXL2PIM1CYP11B1CYP11B2PRKACA
SCHEMBL5991845 0.81 LOXL2 (0.70) ASIC3LOXL2HTR1AHTR7AURKA
SCHEMBL7972258 0.81 ASIC3 (0.53) ASIC3LOXL2HTR1AHTR7PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
CN-100491352-C Asymmetrical cyclic diamine compound KOWA CO (JP) 2009-05-27 CN disclosed
CN-100406441-C Cyclic amine compounds KOWA CO (JP) 2008-07-30 CN disclosed
EP-1400513-B1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND KOWA CO (JP) 2008-01-09 EP disclosed
EP-1400513-B1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND KOWA CO (JP) 2008-01-09 EP disclosed
US-20060040986-A1 Erythropoietin production accelerator KOWA CO., LTD. (JP) 2006-02-23 US disclosed
EP-1568691-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR Kowa Co., Ltd. (JP) 2005-08-31 EP disclosed
US-20050176764-A1 Medicine for treating cancer KOWA CO., LTD (JP) 2005-08-11 US disclosed
CN-1520402-A Unsymmetrical cyclic diamine compound ������������ʽ���� 2004-08-11 CN disclosed
EP-1422219-A1 CYCLIC AMINE COMPOUND Kowa Co., Ltd. (JP) 2004-05-26 EP disclosed
EP-1400513-A1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same KOWA CO., LTD. (JP) 2004-01-15 US disclosed
WO-2003086397-A1 MEDICINE FOR TREATING CANCER KOWA CO., LTD. (JP) 2003-10-23 WO disclosed
US-6605620-B1 Such as 4-(N-(4-Methoxyphenyl)-N-(3-(3,4,5-trimethoxy-phenyl)-benzoylamino)-1-((2 -(3,4,5-trimethoxyphenyl)pyridin-4-yl)-methyl)piperidine; treatment and prevention of cell adhesion or infiltration KOWA CO., LTD. (JP) 2003-08-12 US disclosed
US-6552188-B2 Inhibit cell adhesion and cell infiltration; useful treating asthma, allergies, rheumatic diseases, arteriosclerosis, and inflammation; 2-(3,4,5-trimethoxyphenyl),4-((4-substituted piperazin-1-yl)methyl)pyridine compounds KOWA CO., LTD. (JP) 2003-04-22 US disclosed
US-20030022887-A1 Unsymmetrical cyclic diamine compound KOWA CO., LTD. (JP) 2003-01-30 US disclosed
US-5202321-A Antihistamine, antiallergens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1993-04-13 US disclosed
EP-0518426-A1 Thiopyrano (2,3,4-c,d) indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-12-16 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 (5 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-20050176764-A1 Medicine for treating cancer HDAC4, HDAC3, NR4A3 ASIC3 2721/4885LOXL2 1983/4885HTR1A 2015/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 ASIC3 4272/4885LOXL2 1291/4885HTR1A 3662/4885
US-20030022887-A1 Unsymmetrical cyclic diamine compound H1-0, DDAH1, AOC1 ASIC3 446/4885LOXL2 4426/4885HTR1A 1774/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 ASIC3 4272/4885LOXL2 1291/4885HTR1A 3662/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 ASIC3 2020/4885LOXL2 643/4885HTR1A 383/4885

“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.