SCHEMBL6733401

SCHEMBL6733401

Cc1ccc(CN2CCCCC2)cc1N

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HRH3 Q9Y5N1 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53
HRH4 Q9H3N8 1/20 0.52
KDM4E B2RXH2 1/20 0.50
PRMT6 Q96LA8 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL21383115 0.98 ALDH1A1 (0.55) ALDH1A1HRH3SMN1; SMN2POLBHTT
SCHEMBL22169184 0.85 LMNA (0.62) ALDH1A1KDM4EPRMT6
SCHEMBL16945880 0.84 ALDH1A1 (0.55) ALDH1A1HRH3SMN1; SMN2POLBHTT
SCHEMBL23430815 0.84 HRH3 (0.63) ALDH1A1HRH3SMN1; SMN2POLBHTT
SCHEMBL10240068 0.84 ALDH1A1 (0.63) ALDH1A1HRH3SMN1; SMN2POLBHTT
SCHEMBL4779922 0.83 HRH3 (0.54) ALDH1A1HRH3SMN1; SMN2HTTKDM4E
SCHEMBL15132866 0.82 HRH3 (0.59) ALDH1A1HRH3SMN1; SMN2POLBHTT
SCHEMBL28366319 0.82 ALDH1A1 (0.60) ALDH1A1HRH3SMN1; SMN2POLBHTT
SCHEMBL13293670 0.79 HRH3 (0.57) ALDH1A1HRH3SMN1; SMN2POLBHTT
SCHEMBL24746117 0.79 ALDH1A1 (0.72) ALDH1A1HRH3SMN1; SMN2POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100418951-C Cycloamine derivative and its use as medicine TEIJIN KASEI LTD (JP) 2008-09-17 CN disclosed
CN-1660815-A Cyclic amine derivatives and their use as drugs TEIJIN LTD (JP) 2005-08-31 CN disclosed
US-20040127507-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-01 US disclosed
US-20040122026-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2004-06-24 US disclosed
CN-1496981-A Cyclic amine derivatives and their use as pharmaceuticals ������������ʽ���� 2004-05-19 CN disclosed
US-20030225288-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-12-04 US disclosed
WO-2003087063-A1 IMIDAZOLIDINE COMPOUNDS AS CHEMOKINE RECEPTOR MODULATORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-23 WO disclosed
CN-1279668-A Cyclic amine derivatives and their use as pharmaceuticals TEIJIN LTD (JP) 2001-01-10 CN 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-20040127507-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 ALDH1A1 569/4885HRH3 530/4885SMN1; SMN2 853/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 ALDH1A1 569/4885HRH3 530/4885SMN1; SMN2 853/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 ALDH1A1 569/4885HRH3 530/4885SMN1; SMN2 853/4885

“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.