SCHEMBL12403231

SCHEMBL12403231

CC(C)N1CCNCCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNA7 P36544 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP19A1 P11511 1/20 0.35
MAPT P10636 2/20 0.35
HIF1A Q16665 1/20 0.35
PDE4A P27815 1/20 0.35
KDR P35968 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4543330 1.00 MEN1 (0.38) MEN1KMT2ACHRNA7CYP2D6CYP19A1
Piperazine SCHEMBL28179364 1.00 MEN1 (0.38) MEN1KMT2ACHRNA7CYP2D6CYP19A1
SCHEMBL13509549 1.00 MEN1 (0.38) MEN1KMT2ACHRNA7CYP2D6CYP19A1
SCHEMBL5387 0.97
SCHEMBL77101 0.97
SCHEMBL1706403 0.97 MEN1 (0.39) MEN1KMT2ACHRNA7CYP2D6CYP19A1
Hydrochloric Acid SCHEMBL522550 0.94 MEN1 (0.38) MEN1KMT2ACHRNA7CYP2D6CYP19A1
Hydrochloric Acid SCHEMBL1742546 0.94 MEN1 (0.38) MEN1KMT2ACHRNA7CYP2D6CYP19A1
Iodide SCHEMBL30375035 0.94 MEN1 (0.38) MEN1KMT2ACHRNA7CYP2D6CYP19A1
SCHEMBL4822887 0.94 MEN1 (0.38) MEN1KMT2ACHRNA7CYP2D6CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023076598-A1 LIPID AMINES MODERNATX, INC. (US) 2023-05-04 WO disclosed
US-20200138982-A1 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY- ACADEMIC COOPERATION FOUNDATION (KR) 2020-05-07 US disclosed
US-20180045705-A1 METHODS OF MEASURING HYDROGEN SULFIDE CONCENTRATIONS IN RESERVOIR FLUIDS SHELL OIL COMPANY 2018-02-15 US disclosed
US-20160304473-A1 EXCIMER FORMING COMPOUNDS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-10-20 US disclosed
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-20130172330-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-8338448-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2012-12-25 US disclosed
US-7985745-B2 Including inflammatory pain, post surgical pain, and neuropathic pain; administering a histamine H4 receptor ligand alone or in combination with a histamine H1, H2, or H3 receptor antagonist or an enzyme inhibitor ABBOTT LABORATORIES (US) 2011-07-26 US disclosed
US-20100029634-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. 2010-02-04 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 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 (5 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-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea MKI67, CCNI, CDKN1A MEN1 173/4885KMT2A 682/4885CHRNA7 4830/4885
US-20200138982-A1 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE TST, SCLY, CTH MEN1 2360/4885KMT2A 4261/4885CHRNA7 4635/4885
US-20130172330-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 MEN1 2799/4885KMT2A 4546/4885CHRNA7 3228/4885
US-20160304473-A1 EXCIMER FORMING COMPOUNDS PHAX, RNMT, POLM MEN1 2014/4885KMT2A 4495/4885CHRNA7 4098/4885
US-20100029634-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 MEN1 2799/4885KMT2A 4546/4885CHRNA7 3228/4885

“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.