SCHEMBL1241075

SCHEMBL1241075

CCN(C)Cc1ccc(Br)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 1/20 0.69
PYCR1 P32322 8/20 0.60
MAOB P27338 1/20 0.60
TAAR1 Q96RJ0 1/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
LSS P48449 2/20 0.44
CXCR3 P49682 1/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL15128047 0.88 PYCR1 (0.67) KDM4EALDH1A1PYCR1MAOBTAAR1
SCHEMBL12763726 0.88 CHRNB2 (0.56) KDM4EALDH1A1PYCR1MAOBCHRNB2
SCHEMBL1241978 0.83 KDM4E (0.70) KDM4EALDH1A1PYCR1MAOBTAAR1
SCHEMBL4278577 0.82 KDM4E (1.00) KDM4EALDH1A1PYCR1MAOBTAAR1
SCHEMBL12910454 0.81 CHRNB2 (0.50) KDM4EALDH1A1PYCR1TAAR1CHRNB2
SCHEMBL10814136 0.80 PYCR1 (0.63) KDM4EALDH1A1PYCR1MAOBTAAR1
SCHEMBL1241957 0.79 KDM4E (0.66) KDM4EALDH1A1PYCR1MAOBTAAR1
SCHEMBL10187442 0.79 PYCR1 (0.69) KDM4EALDH1A1PYCR1MAOBTAAR1
SCHEMBL12837021 0.79 HRH3 (0.67) KDM4EALDH1A1PYCR1CHRNB2CHRNA4
SCHEMBL7297585 0.79 PYCR1 (0.59) KDM4EALDH1A1PYCR1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785720-B1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS NANJING ALLGEN PHARMA CO LTD (CN) 2017-08-09 EP disclosed
US-9708305-B2 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives for the treatment of hormone-dependent diseases UNIVERSITé LAVAL (CA) 2017-07-18 US disclosed
US-9708305-B2 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives for the treatment of hormone-dependent diseases UNIVERSITé LAVAL (CA) 2017-07-18 US disclosed
US-20160200685-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES UNIVERSITé LAVAL (CA) 2016-07-14 US disclosed
US-20160200685-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES UNIVERSITé LAVAL (CA) 2016-07-14 US disclosed
WO-2015024111-A1 COMPOUNDS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES UNIVERSITE LAVAL (CA) 2015-02-26 WO disclosed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7879808-B2 potent activity against resistant pneumococci; for treating domestic fowl MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2010-08-19 US disclosed
EP-2151447-A1 LINCOMYCIN DERIVATIVES AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-02-10 EP disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 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 (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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 KDM4E 2088/4885ALDH1A1 1966/4885PYCR1 786/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 KDM4E 2088/4885ALDH1A1 1966/4885PYCR1 786/4885
US-20160200685-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES STS, SHBG, CYP19A1 KDM4E 2786/4885ALDH1A1 1010/4885PYCR1 1380/4885
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT LAS1L, LCLAT1, LYPLA1 KDM4E 3818/4885ALDH1A1 3224/4885PYCR1 258/4885

“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.