SCHEMBL3413593

SCHEMBL3413593

CC(NCc1ccccc1)NCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.65
POLB P06746 1/20 0.55
IDO1 P14902 2/20 0.54
THRB P10828 1/20 0.54
CYP3A4 P08684 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CASR P41180 1/20 0.47
TAAR1 Q96RJ0 2/20 0.46
SLC18A2 Q05940 1/20 0.46

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
SCHEMBL143708 0.85 SIGMAR1 (0.65) SIGMAR1POLBIDO1THRBCYP3A4
SCHEMBL22899588 0.85 SIGMAR1 (0.65) SIGMAR1POLBIDO1THRBCYP3A4
SCHEMBL10939504 0.83 SIGMAR1 (0.53) SIGMAR1POLBIDO1THRBCYP3A4
Hydrochloric Acid SCHEMBL1331235 0.83 SIGMAR1 (0.63) SIGMAR1POLBIDO1THRBCYP3A4
Bromide SCHEMBL1331742 0.83 SIGMAR1 (0.63) SIGMAR1POLBIDO1THRBCYP3A4
Ammonia Solution, Strong SCHEMBL15917374 0.83 SIGMAR1 (0.63) SIGMAR1POLBIDO1THRBCYP3A4
SCHEMBL24801993 0.82 SIGMAR1 (0.68) SIGMAR1POLBIDO1THRBCYP3A4
SCHEMBL3112736 0.82 SIGMAR1 (0.68) SIGMAR1POLBIDO1THRBCYP3A4
SCHEMBL21763643 0.81 SIGMAR1 (0.61) SIGMAR1POLBIDO1THRBCYP3A4
SCHEMBL10284202 0.81 SIGMAR1 (0.61) SIGMAR1POLBIDO1THRBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3569602-B1 IMIDAZOPYRAZINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF DONGGUAN ZHENGXING BEITE MEDICINE TECH CO LTD (CN) 2022-11-23 EP disclosed
US-10919899-B2 Imidazopyrazine compounds, preparation methods and uses thereof DONGGUAN ZHENXING-BEITE MEDICINE TECHNOLOGY CO., LTD. (CN) 2021-02-16 US disclosed
EP-3569602-A1 IMIDAZOPYRAZINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Dongguan Zhengxing-Beite Medicine Technology Co., Ltd. (CN) 2019-11-20 EP disclosed
EP-3150576-B1 SUBSTITUTED ACETOHYDRAZIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE INST PHARMACOLOGY & TOXICOLOGY ACADEMY MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2019-07-10 EP disclosed
US-10196346-B2 Substituted acethydrazide derivative, preparation method and use thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2019-02-05 US disclosed
EP-2857393-B1 N-ARYL UNSATURATED FUSED RING TERTIARY AMINE COMPOUND, PREPARATION METHOD THEREOF AND ANTITUMOR APPLICATION THEREOF INST PHARMACOLOGY & TOXICOLOGY ACADEMY MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2018-09-12 EP disclosed
EP-2980087-B1 PRODRUGS OF BICYCLIC SUBSTITUTED PYRIMIDINE TYPE PDE-5 INHIBITORS XUANZHU PHARMA CO LTD (CN) 2018-06-06 EP disclosed
US-20180134653-A1 SUBSTITUTED ACETHYDRAZIDE DERIVATIVE, PREPARATION METHOD AND USE THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2018-05-17 US disclosed
US-9751884-B2 N-aryl unsaturated fused ring tertiary amine compounds, preparation method and anti-tumor applications thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2017-09-05 US disclosed
EP-2886540-B1 BICYCLIC SUBSTITUTED PYRIMIDINE COMPOUNDS XUANZHU PHARMA CO LTD (CN) 2017-07-26 EP disclosed
US-20150232474-A1 Bicyclic Substituted Pyrimidine Compounds Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2015-08-20 US disclosed
EP-2886540-A1 BICYCLIC SUBSTITUTED PYRIMIDINE COMPOUNDS Xuanzhu Pharma Co., Ltd. (CN) 2015-06-24 EP disclosed
US-20150141407-A1 N-Aryl Unsaturated Fused Ring Tertiary Amine Compounds, Preparation Method and Anti-Tumor Applications Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2015-05-21 US disclosed
EP-2857393-A1 N-ARYL UNSATURATED FUSED RING TERTIARY AMINE COMPOUND, PREPARATION METHOD THEREOF AND ANTITUMOR APPLICATION THEREOF Institute Of Pharmacology And Toxicology Academy Of Militaty Medical Sciences P.L.A. (CN) 2015-04-08 EP disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 EP disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 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 (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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 SIGMAR1 59/4885POLB 3622/4885IDO1 1812/4885
US-20150232474-A1 Bicyclic Substituted Pyrimidine Compounds DPYD, UMPS, TYMP SIGMAR1 3896/4885POLB 283/4885IDO1 1342/4885
US-10919899-B2 Imidazopyrazine compounds, preparation methods and uses thereof BTK, SYK, ABL1 SIGMAR1 2543/4885POLB 3229/4885IDO1 1397/4885
US-20150141407-A1 N-Aryl Unsaturated Fused Ring Tertiary Amine Compounds, Preparation Method and Anti-Tumor Applications Thereof H1-0, H1-5, H1-3 SIGMAR1 181/4885POLB 1843/4885IDO1 1377/4885
US-20180134653-A1 SUBSTITUTED ACETHYDRAZIDE DERIVATIVE, PREPARATION METHOD AND USE THEREOF HIF1AN, HIF1A, EGLN3 SIGMAR1 1851/4885POLB 2896/4885IDO1 585/4885
US-10196346-B2 Substituted acethydrazide derivative, preparation method and use thereof HIF1AN, HIF1A, EGLN3 SIGMAR1 1851/4885POLB 2896/4885IDO1 585/4885
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR SIGMAR1 208/4885POLB 2625/4885IDO1 2695/4885

“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.