SCHEMBL317437

SCHEMBL317437

CC1CCN(N2CCNCC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
PHGDH O43175 1/20 0.33
MGLL Q99685 1/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT1 Q99873 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8196122 0.91 ACHE (0.32) ACHE
SCHEMBL1629925 0.83 PHGDH (0.42) PHGDHMGLLCARM1PRMT6PRMT1
SCHEMBL2356063 0.76 HIF1A (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10982018 0.75 ACHE (0.41) PHGDHMGLLCARM1PRMT6PRMT1
SCHEMBL7571755 0.74 GNAI3 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL28420298 0.73 GUSB (0.31)
SCHEMBL28420301 0.73 GUSB (0.31)
SCHEMBL12912807 0.73 NCF1 (0.33) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22970443 0.73 CARM1 (0.52) CARM1PRMT6PRMT1PRMT8ACHE
SCHEMBL18666762 0.73 ACHE (0.42) PHGDHMGLLCARM1PRMT6PRMT1

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
US-RE43098-E1 Nitrogenous heterocyclic compounds and process for making nitrogenous heterocyclic compounds and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-10 US claimed
US-6951937-B2 Nitrogenous heterocyclic compounds and process for making nitrogenous heterocyclic compounds and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-04 US claimed
CN-114423750-B 2, 4-Disubstituted pyrimidine derivative, preparation method and application thereof 成都赜灵生物医药科技有限公司 2024-04-19 CN disclosed
CN-114423750-A 2, 4-disubstituted pyrimidine derivative and preparation method and application thereof 成都赜灵生物医药科技有限公司 2022-04-29 CN disclosed
EP-3309162-A1 TARGETED CONJUGATES OF PYRROLOBENZODIAZEPINES Seattle Genetics, Inc. (US) 2018-04-18 EP disclosed
US-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 US disclosed
EP-1548121-B1 Physiologically active substances EISAI R&D MAN CO LTD (JP) 2015-04-29 EP disclosed
CN-1671856-B Novel physiologically active substances EISAI R&D MAN CO LTD 2010-05-12 CN disclosed
US-7256178-B2 Physiologically active substances EISAI CO., LTD. (JP) 2007-08-14 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
EP-1548121-A1 NOVEL PHYSIOLOGICALLY ACTIVE SUBSTANCES MERCIAN CORPORATION (JP) 2005-06-29 EP disclosed
US-4148895-A HYPOTENSIVE, ANTIARRHYMIA AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1979-04-10 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 (2 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 CHRNB2 4516/4885CHRNA3 4519/4885CHRNA4 4636/4885
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF ENPP2, ATXN2, ATXN2L CHRNB2 465/4885CHRNA3 832/4885CHRNA4 883/4885

“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.