SCHEMBL15096161

SCHEMBL15096161

NC1CC1c1cccc(Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 15/20 1.00
HTR2C P28335 2/20 0.61
HTR2A P28223 1/20 0.61
HTR2B P41595 1/20 0.61
MAOB P27338 10/20 0.57
KCNH2 Q12809 4/20 0.57
RCOR1 Q9UKL0 3/20 0.57
KDM1B Q8NB78 3/20 0.57
MAOA P21397 7/20 0.56
CYP2C19 P33261 4/20 0.56
CYP2B6 P20813 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
LMNA P02545 2/20 0.56
TAAR1 Q96RJ0 2/20 0.56
CYP3A4 P08684 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
CYP2A6 P11509 1/20 0.56

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
SCHEMBL20187237 1.00 KDM1A (1.00) KDM1AHTR2CHTR2AHTR2BMAOB
Hydrochloric Acid SCHEMBL16340510 0.98 KDM1A (1.00) KDM1AHTR2CHTR2AHTR2BMAOB
Hydrochloric Acid SCHEMBL17766516 0.98 KDM1A (1.00) KDM1AHTR2CHTR2AHTR2BMAOB
SCHEMBL31330270 0.81 KDM1A (0.68) KDM1AHTR2CHTR2AHTR2BMAOB
SCHEMBL1646738 0.81 KDM1A (0.68) KDM1AHTR2CHTR2AHTR2BMAOB
SCHEMBL1643835 0.81 KDM1A (0.68) KDM1AHTR2CHTR2AHTR2BMAOB
SCHEMBL1643832 0.81 KDM1A (0.68) KDM1AHTR2CHTR2AHTR2BMAOB
SCHEMBL15372957 0.79 KDM1A (0.66) KDM1AHTR2CHTR2AHTR2BRCOR1
SCHEMBL8329871 0.79 KDM1A (0.66) KDM1AHTR2CHTR2AHTR2BRCOR1
SCHEMBL8329869 0.79 KDM1A (0.66) KDM1AHTR2CHTR2AHTR2BRCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849044-B Triaza-spirodecanones as DDR1 inhibitors 豪夫迈·罗氏有限公司 2021-06-25 CN disclosed
EP-3317279-B1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2019-10-08 US disclosed
US-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-06-06 US disclosed
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMAN LA-ROCHE INC. (US) 2019-03-26 US disclosed
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA-ROCHE INC. (US) 2018-05-31 US disclosed
US-9585850-B2 Methods of treatment using arylcyclopropylamine compounds DUKE UNIVERSITY (US) 2017-03-07 US disclosed
US-9585850-B2 Methods of treatment using arylcyclopropylamine compounds DUKE UNIVERSITY (US) 2017-03-07 US disclosed
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2015-09-17 US disclosed
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2015-09-17 US disclosed
US-20140343118-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2014-11-20 US disclosed
US-20140343118-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2014-11-20 US disclosed
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY (US) 2013-07-11 US disclosed
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY (US) 2013-07-11 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 (7 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-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 KDM1A 1416/4885HTR2C 3624/4885HTR2A 2396/4885
US-20140343118-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS BRCA1, NAT1, AADAC KDM1A 1482/4885HTR2C 16/4885HTR2A 60/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 KDM1A 1416/4885HTR2C 3624/4885HTR2A 2396/4885
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT KDM1A 3423/4885HTR2C 7/4885HTR2A 17/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 KDM1A 1416/4885HTR2C 3624/4885HTR2A 2396/4885
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT KDM1A 3423/4885HTR2C 7/4885HTR2A 17/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 KDM1A 1416/4885HTR2C 3624/4885HTR2A 2396/4885

“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.