SCHEMBL800968

SCHEMBL800968

CC1CN(c2ccccc2)CC(C)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.53
GHSR Q92847 7/20 0.45
ALOX5 P09917 1/20 0.44
GAA P10253 1/20 0.44
G6PD P11413 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SIGMAR1 Q99720 3/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
KHK P50053 2/20 0.42
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
AURKA O14965 1/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
MAPK1 P28482 2/20 0.41

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
SCHEMBL12663143 1.00 BPTF (0.53) BPTFGHSRALOX5GAAG6PD
SCHEMBL8125251 0.85 BPTF (0.44) BPTFGHSRALOX5GAAG6PD
SCHEMBL81695 0.81 ADRB1 (0.48) GHSRADRB1KMT2ACHRNA3MEN1
SCHEMBL81349 0.81 ADRB1 (0.48) GHSRADRB1KMT2ACHRNA3MEN1
SCHEMBL19139371 0.79 BPTF (0.54) BPTFALOX5GAAG6PDL3MBTL1
SCHEMBL16069835 0.79 MAPT (0.47) GHSRGAAL3MBTL1SIGMAR1KMT2A
SCHEMBL2549111 0.79 GHSR (0.53) GHSRSIGMAR1KMT2ALMNAHTT
SCHEMBL12499501 0.79 CDK4 (0.45) GHSRHTT
SCHEMBL3528425 0.79 MAPT (0.47) GHSRGAAL3MBTL1SIGMAR1KMT2A
SCHEMBL6367230 0.79 HTR3E (0.47) GHSRSIGMAR1HTR3EHTR3BADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3124482-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 EP disclosed
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 US disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 EP disclosed
US-20160067244-A1 Treatment for Neurological and Mental Disorders PSYCHOGENICS INC (US) 2016-03-10 US disclosed
US-9206130-B2 Quinoline derivatives as AXL kinase inhibitors MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-12-08 US disclosed
US-9206130-B2 Quinoline derivatives as AXL kinase inhibitors MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-12-08 US disclosed
US-20140066455-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2014-03-06 US disclosed
US-20120070494-A1 Treatment for Attention-Deficit Hyperactivity Disorder PSYCHOGENICS, INC. (US) 2012-03-22 US disclosed
EP-2125748-B1 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2011-05-25 EP disclosed
US-20110092503-A1 QUINOLINE DERIVATIVES AS AXL KINASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2011-04-21 US disclosed
US-20110092503-A1 QUINOLINE DERIVATIVES AS AXL KINASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2011-04-21 US disclosed
US-20110053956-A1 Treatment for Neurological and Mental Disorders PSYCHOGENICS, INC. (US) 2011-03-03 US disclosed
US-20110008425-A1 Treatment for Attention-Deficit Hyperactivity Disorder PSYCHOGENICS, INC. (US) 2011-01-13 US disclosed
US-20090298850-A1 Treatment for Neurological and Mental Disorders PSYCHOGENICS, INC. (US) 2009-12-03 US disclosed
US-7557109-B2 Treatment for attention-deficit hyperactivity disorder PSYCHOGENICS, INC. (US) 2009-07-07 US disclosed
US-20090104261-A1 Treatment for Attention-Deficit Hyperactivity Disorder PSYCHOGENICS, INC. (US) 2009-04-23 US disclosed
US-7504395-B2 Treatment for attention-deficit hyperactivity disorder PSYCHOGENICS, INC. (US) 2009-03-17 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 (10 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-20090104261-A1 Treatment for Attention-Deficit Hyperactivity Disorder SLC6A2, SLC18A2, SLC6A3 BPTF 3398/4885GHSR 82/4885ALOX5 324/4885
US-20110053956-A1 Treatment for Neurological and Mental Disorders PNMT, COMT, ACHE BPTF 4506/4885GHSR 64/4885ALOX5 1674/4885
US-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 BPTF 1666/4885GHSR 1586/4885ALOX5 2101/4885
US-20090298850-A1 Treatment for Neurological and Mental Disorders PNMT, COMT, ACHE BPTF 4506/4885GHSR 64/4885ALOX5 1674/4885
US-20120070494-A1 Treatment for Attention-Deficit Hyperactivity Disorder SLC6A2, SLC18A2, SLC6A3 BPTF 3398/4885GHSR 82/4885ALOX5 324/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 BPTF 1459/4885GHSR 1418/4885ALOX5 2922/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 BPTF 1459/4885GHSR 1418/4885ALOX5 2922/4885
US-20110008425-A1 Treatment for Attention-Deficit Hyperactivity Disorder SLC6A2, SLC18A2, SLC6A3 BPTF 3398/4885GHSR 82/4885ALOX5 324/4885
US-20160067244-A1 Treatment for Neurological and Mental Disorders PNMT, COMT, ACHE BPTF 4506/4885GHSR 64/4885ALOX5 1674/4885
US-20110092503-A1 QUINOLINE DERIVATIVES AS AXL KINASE INHIBITORS AXL, FLT3, TYRO3 BPTF 1971/4885GHSR 850/4885ALOX5 4642/4885

“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.