SCHEMBL19862550

SCHEMBL19862550

CC(C)N1CCCC1c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
MAOB P27338 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CHRNA7 P36544 1/20 0.41

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
SCHEMBL23323406 1.00 HSP90AA1 (0.43) HSP90AA1HSP90AB1MAOBKDM4EALDH1A1
SCHEMBL19421443 0.82 HSP90AA1 (0.44) HSP90AA1HSP90AB1MAOBKDM4EALDH1A1
SCHEMBL24775410 0.81 CHRNA7 (0.38) CHRNA7
SCHEMBL24775488 0.81 CHRNA7 (0.38) CHRNA7
SCHEMBL9963125 0.81 ALDH1A1 (0.43) MAOBKDM4EALDH1A1CHRNA7
SCHEMBL24775484 0.81 ALDH1A1 (0.43) MAOBKDM4EALDH1A1CHRNA7
SCHEMBL24775409 0.81 CHRNA7 (0.38) CHRNA7
SCHEMBL24853453 0.79 CHRNA7 (0.37) CHRNA7
SCHEMBL24775416 0.79 CHRNA7 (0.37) CHRNA7
SCHEMBL4105109 0.79 OPRM1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-20210094950-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2021-04-01 US disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 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 (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-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A HSP90AA1 1775/4885HSP90AB1 1784/4885MAOB 210/4885
US-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 HSP90AA1 2902/4885HSP90AB1 2783/4885MAOB 1257/4885
US-20210094950-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, CSNK1E, CSNK1G3 HSP90AA1 2028/4885HSP90AB1 1512/4885MAOB 1294/4885

“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.