SCHEMBL17817825

SCHEMBL17817825

N#Cc1ccc(CN)cc1CN

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.48
SNCA P37840 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
MAOB P27338 5/20 0.35
MAOA P21397 4/20 0.35
ASIC3 Q9UHC3 1/20 0.33
ABAT P80404 1/20 0.33
PNMT P11086 1/20 0.33
ENPP2 Q13822 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
CYP2A6 P11509 1/20 0.33
NEK1 Q96PY6 1/20 0.33

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
SCHEMBL13570555 0.86 LOXL2 (0.44) LOXL2SNCAMAOBCYP2A6NEK1
SCHEMBL13570703 0.83 LOXL2 (0.41) LOXL2SNCAMAOBMAOACYP2A6
SCHEMBL17817829 0.83 LOXL2 (0.48) LOXL2SNCAHRH3MAOBMAOA
SCHEMBL8226653 0.78 LOXL2 (0.47) LOXL2MAOB
SCHEMBL5047623 0.78 TRPV4 (0.52) LOXL2TRPV4MAOBMAOAPNMT
SCHEMBL23201070 0.78 NOS2 (0.50)
SCHEMBL13761146 0.78 LOXL2 (0.47) LOXL2SNCAHRH3TRPV4MAOB
SCHEMBL3158141 0.78 TRPV4 (0.57) LOXL2TRPV4MAOBMAOA
SCHEMBL1362429 0.78 LOXL2 (0.47) LOXL2SNCAHRH3TRPV4MAOB
Hydrochloric Acid SCHEMBL6778616 0.76 LOXL2 (0.45) LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110234630-B Phenylimidazolines having aminomethyl groups Compound or salt thereof and process for producing the same 三菱瓦斯化学株式会社 2023-02-03 CN disclosed
EP-3604286-B1 PHENYL IMIDAZOLINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, OR PHENYL TETRAHYDROPYRIMIDINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, AND PRODUCTION METHOD OF SAID COMPOUNDS OR SALTS THEREOF MITSUBISHI GAS CHEMICAL CO (JP) 2022-01-19 EP disclosed
US-11198676-B2 Phenyl imidazoline compound having aminomethyl group or salt thereof, or phenyl tetrahydropyrimidine compound having aminomethyl group or salt thereof, and production method for such compounds or salts thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-12-14 US disclosed
US-20200339516-A1 PHENYL IMIDAZOLINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, OR PHENYL TETRAHYDROPYRIMIDINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, AND PRODUCTION METHOD FOR SUCH COMPOUNDS OR SALTS THEREOF MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-10-29 US disclosed
EP-3604286-A1 PHENYL IMIDAZOLINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, OR PHENYL TETRAHYDROPYRIMIDINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, AND PRODUCTION METHOD OF SAID COMPOUNDS OR SALTS THEREOF Mitsubishi Gas Chemical Company, Inc. (JP) 2020-02-05 EP disclosed
EP-3031803-B1 BENZOGUANAMINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, AND METHOD FOR MANUFACTURING SAME MITSUBISHI GAS CHEMICAL CO (JP) 2019-04-24 EP disclosed
US-9458116-B2 Benzoguanamine compound having aminomethyl group, or salt thereof, and method for manufacturing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-10-04 US disclosed
US-20160176827-A1 BENZOGUANAMINE COMPOUND HAVING AMINOMETHYL GROUP, OR SALT THEREOF, AND METHOD FOR MANUFACTURING THE SAME MITSUBHIS GAS CHEMICAL COMPANY, INC. (JP) 2016-06-23 US disclosed
EP-3031803-A1 BENZOGUANAMINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, AND METHOD FOR MANUFACTURING SAME Mitsubishi Gas Chemical Company, Inc. (JP) 2016-06-15 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 (3 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-20200339516-A1 PHENYL IMIDAZOLINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, OR PHENYL TETRAHYDROPYRIMIDINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, AND PRODUCTION METHOD FOR SUCH COMPOUNDS OR SALTS THEREOF JAK2, IL4I1, INMT LOXL2 4761/4885SNCA 3896/4885HRH3 232/4885
US-11198676-B2 Phenyl imidazoline compound having aminomethyl group or salt thereof, or phenyl tetrahydropyrimidine compound having aminomethyl group or salt thereof, and production method for such compounds or salts thereof JAK2, IL4I1, INMT LOXL2 4761/4885SNCA 3896/4885HRH3 232/4885
US-20160176827-A1 BENZOGUANAMINE COMPOUND HAVING AMINOMETHYL GROUP, OR SALT THEREOF, AND METHOD FOR MANUFACTURING THE SAME BCAT2, GNMT, BCAT1 LOXL2 3127/4885SNCA 495/4885HRH3 137/4885

“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.