SCHEMBL13199855

SCHEMBL13199855

CC(C)N1CCCNCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 5/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNA7 P36544 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL18161889 0.97 CXCR4 (0.40) CXCR4ALDH1A1SMN1; SMN2CHRNA7HRH3
SCHEMBL63693 0.95 CXCR4 (0.35) CXCR4ALDH1A1SMN1; SMN2CHRNA7HRH3
SCHEMBL2907938 0.95 CXCR4 (0.35) CXCR4ALDH1A1SMN1; SMN2CHRNA7HRH3
SCHEMBL19593830 0.95 ALDH1A1 (0.38) CXCR4ALDH1A1SMN1; SMN2CHRNA7HRH3
SCHEMBL24606523 0.93 CXCR4 (0.39) CXCR4SMN1; SMN2CHRNA7HRH3CHRM5
Hydrochloric Acid SCHEMBL4430349 0.93 CXCR4 (0.34) CXCR4SMN1; SMN2CHRNA7HRH3CHRM5
Hydrochloric Acid SCHEMBL1169999 0.93 CXCR4 (0.34) CXCR4SMN1; SMN2CHRNA7HRH3CHRM5
SCHEMBL23586065 0.92 ALDH1A1 (0.40) CXCR4ALDH1A1SMN1; SMN2CHRNA7HRH3
SCHEMBL13509553 0.91 CXCR4 (0.42) CXCR4SMN1; SMN2HRH3CHRM5CHRM3
SCHEMBL25894882 0.90 ALDH1A1 (0.45) CXCR4ALDH1A1SMN1; SMN2CHRNA7HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373983-A1 AMIDO HETEROAROMATIC COMPOUNDS ASTRAZENECA AB (SE) 2023-11-23 US disclosed
WO-2023109909-A1 AROMATIC HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND USES THEREOF 上海翊石医药科技有限公司 2023-06-22 WO disclosed
WO-2023007009-A1 PYRAZOLOPYRIMIDINES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-02-02 WO disclosed
US-9783903-B2 Additives for electroplating baths ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2017-10-10 US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
EP-2062879-A1 Heterocyclic inhibitors of p38 Vertex Pharmceuticals Incorporated (US) 2009-05-27 EP disclosed
US-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed
US-20090075981-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-19 US disclosed
US-20090075981-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-19 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-7423049-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-09 US disclosed
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 US disclosed
US-20070060572-A1 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-15 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-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 CXCR4 183/4885ALDH1A1 1186/4885SMN1; SMN2 416/4885
US-20090075981-A1 INHIBITORS OF p38 MAPK1, MAPK3, MAP3K1 CXCR4 975/4885ALDH1A1 3189/4885SMN1; SMN2 2123/4885
US-20230373983-A1 AMIDO HETEROAROMATIC COMPOUNDS CYP7A1, SLC10A1, CYP11B2 CXCR4 4030/4885ALDH1A1 299/4885SMN1; SMN2 567/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 CXCR4 178/4885ALDH1A1 686/4885SMN1; SMN2 3923/4885
US-20070060572-A1 Inhibitors of p38 MAPK1, MAPK3, MAP3K1 CXCR4 975/4885ALDH1A1 3189/4885SMN1; SMN2 2123/4885

“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.