SCHEMBL4123669

SCHEMBL4123669

CC(C)(N)CCN1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 1/20 0.43
CXCR4 P61073 2/20 0.42
SIGMAR1 Q99720 4/20 0.41
HSD17B10 Q99714 1/20 0.38
CHRM5 P08912 2/20 0.36
CHRM3 P20309 2/20 0.36
RAD52 P43351 1/20 0.36
KDM1A O60341 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ANPEP P15144 1/20 0.34
ERAP2 Q6P179 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
GNAO1 P09471 1/20 0.33

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
SCHEMBL2600051 0.81 SIGMAR1 (0.52) SMN1; SMN2POLBCXCR4SIGMAR1HSD17B10
SCHEMBL2187236 0.81 CARM1 (0.41) CHRM2CHRM1LMNAMAPT
SCHEMBL2189098 0.79 HRH3 (0.44) SIGMAR1CHRM2CHRM1LMNAMAPT
Hydrochloric Acid SCHEMBL1496041 0.79 SIGMAR1 (0.50) SMN1; SMN2POLBCXCR4SIGMAR1HSD17B10
SCHEMBL22212573 0.79 RAB9A (0.39) SIGMAR1CHRM5CHRM3KDM1ACHRM2
Hydrochloric Acid SCHEMBL1495881 0.79 SIGMAR1 (0.50) SMN1; SMN2POLBCXCR4SIGMAR1HSD17B10
SCHEMBL2188091 0.79 HRH3 (0.44) SIGMAR1CHRM2CHRM1LMNAMAPT
SCHEMBL3919857 0.79 SIGMAR1 (0.38) SMN1; SMN2POLBCXCR4SIGMAR1HSD17B10
SCHEMBL18457919 0.77 ALOX15 (0.35)
Piperazine SCHEMBL28216470 0.77 CXCR4 (0.38) SMN1; SMN2POLBCXCR4SIGMAR1CHRM5

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-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 US disclosed
US-20220396565-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-12-15 US disclosed
EP-3380469-A1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2018-10-03 EP disclosed
WO-2017091661-A1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF STROVEL JEFFREY WILLIAM (US) 2017-06-01 WO disclosed
WO-2015091532-A1 PYRROLOPYRIMIDINE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2015-06-25 WO disclosed
US-20090247559-A1 Benzofuropyrimidinones EXELIXIS, INC. (US) 2009-10-01 US disclosed
EP-2097419-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS Exelixis, Inc. (US) 2009-09-09 EP disclosed
WO-2009086264-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS, INC. (US) 2009-07-09 WO disclosed
US-6683093-B2 ENZYME INHIBITORS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE PHARMACIA CORPORATION 2004-01-27 US disclosed
US-5500410-A BACTERICIDES GRUPPO LEPETIT S.P.A. (IT) 1996-03-19 US disclosed
EP-0465481-B1 NEW SUBSTITUTED ALKYLAMIDE DERIVATIVES OF TEICOPLANIN LEPETIT SPA (IT) 1993-11-18 EP disclosed
EP-0465481-A1 NEW SUBSTITUTED ALKYLAMIDE DERIVATIVES OF TEICOPLANIN. LEPETIT SPA (IT) 1992-01-15 EP disclosed
WO-1990011300-A1 NEW SUBSTITUTED ALKYLAMIDE DERIVATIVES OF TEICOPLANIN GRUPPO LEPETIT S.P.A. (IT) 1990-10-04 WO 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-20090247559-A1 Benzofuropyrimidinones F12, BRI3BP, BRD1 SMN1; SMN2 1926/4885POLB 1929/4885CXCR4 1210/4885
US-20220396565-A1 NOVEL HETEROCYCLIC COMPOUNDS MRPL21, F12, MRPS34 SMN1; SMN2 2004/4885POLB 1730/4885CXCR4 961/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 SMN1; SMN2 2011/4885POLB 2009/4885CXCR4 3046/4885

“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.