SCHEMBL1268616

SCHEMBL1268616

CNCCN(C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.45
ATM Q13315 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
PRMT1 Q99873 2/20 0.42
PRMT3 O60678 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
HTR2A P28223 2/20 0.42
HRH1 P35367 2/20 0.42
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTR1B P28222 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
SCHEMBL1268734 0.88 L3MBTL1 (0.47) TAAR1ATMSIGMAR1HTR2AHRH1
SCHEMBL11044440 0.81 CA12 (0.50) TAAR1SIGMAR1HTR2AHRH1CA12
SCHEMBL27644720 0.79 ALDH1A1 (0.50) TAAR1CA12CA2CA9L3MBTL1
SCHEMBL9760728 0.79 CHRM5 (0.46) SLC6A2NOS1NOS2PRMT1PRMT3
SCHEMBL22542431 0.79 TMEM97 (0.48) TAAR1SIGMAR1NOS1NOS2PRMT1
SCHEMBL13358132 0.79 HTT (0.43) TAAR1NOS2CA12CA2CA9
SCHEMBL6241015 0.79 ALDH1A1 (0.46) SIGMAR1NOS1NOS2PRMT1PRMT3
SCHEMBL28320582 0.79 PRMT1 (0.39) SIGMAR1NOS1NOS2PRMT1PRMT3
SCHEMBL22542479 0.79 NOX1 (0.51) SLC6A2SLC6A3L3MBTL1LMNABCHE
SCHEMBL18233616 0.78 CA12 (0.38) TAAR1CA12CA2CA9L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743446-A1 NITRO-CONTAINING COMPOUNDS THAT KILL MYCOBACTERIA Board of Trustees of Michigan State University (US) 2026-05-20 EP disclosed
WO-2025015066-A1 NITRO-CONTAINING COMPOUNDS THAT KILL MYCOBACTERIA BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2025-01-16 WO disclosed
WO-2021072203-A1 TGFBETAR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2021-04-15 WO disclosed
WO-2021011834-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP disclosed
CN-106928017-A A kind of method for preparing 1,1,1,4,4,4- hexafluoro -2- butylene 浙江省化工研究院有限公司 2017-07-07 CN disclosed
CN-106925354-A A kind of liquid-phase catalyst for preparing alkenyl halide 浙江省化工研究院有限公司 2017-07-07 CN disclosed
EP-2927228-B1 Novel physiologically active substances EISAI R&D MAN CO LTD (JP) 2016-09-07 EP disclosed
EP-2927228-A1 Novel physiologically active substances Eisai R&D Management Co., Ltd. (JP) 2015-10-07 EP disclosed
EP-2266978-B1 Novel physiologically active substances EISAI R&D MAN CO LTD (JP) 2015-05-20 EP disclosed
US-20060241171-A1 Novel physiologically active substances MICROBIOPHARM JAPAN CO., LTD. (JP) 2006-10-26 US disclosed
US-20060235002-A1 Novel physiologically active substance EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-10-19 US disclosed
US-20060009439-A1 Novel physiologically active substances MERCIAN CORPORATION (JP) 2006-01-12 US disclosed
US-20050245514-A1 Novel physiologically active substances MICROBIOPHARM JAPAN CO., LTD. (JP) 2005-11-03 US disclosed
CN-1671856-A Novel physiologically active substances MERCIAN CORP (JP) 2005-09-21 CN disclosed
CN-1665807-A Novel physiolgically active substances MERCIAN CORP (JP) 2005-09-07 CN disclosed
EP-1548121-A1 NOVEL PHYSIOLOGICALLY ACTIVE SUBSTANCES MERCIAN CORPORATION (JP) 2005-06-29 EP disclosed
EP-1541570-A1 NOVEL PHYSIOLOGICALLY ACTIVE SUBSTANCE MERCIAN CORPORATION (JP) 2005-06-15 EP disclosed
EP-1508570-A1 NOVEL PHYSIOLGICALLY ACTIVE SUBSTANCES MERCIAN CORPORATION (JP) 2005-02-23 EP disclosed
US-6294615-B1 AS FLOCCULATING AGENT FOR ORGANIC SLUDGE TOSCH CORPORATION (JP) 2001-09-25 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-20050245514-A1 Novel physiologically active substances HIF1A, HIF1AN, VEGFA TAAR1 2101/4885ATM 1827/4885SIGMAR1 701/4885
US-20060241171-A1 Novel physiologically active substances HIF1A, HIF1AN, VEGFA TAAR1 1615/4885ATM 3089/4885SIGMAR1 526/4885
US-20060009439-A1 Novel physiologically active substances HIF1A, HIF1AN, VEGFA TAAR1 1615/4885ATM 3089/4885SIGMAR1 526/4885
US-20060235002-A1 Novel physiologically active substance HIF1AN, HIF1A, VEGFA TAAR1 1178/4885ATM 3530/4885SIGMAR1 662/4885

“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.