SCHEMBL19652138

SCHEMBL19652138

COc1cccc(CN2CCC(N(C)C(=O)C(C)C)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPT P10636 1/20 0.58
CCR5 P51681 1/20 0.56
MCHR1 Q99705 1/20 0.55
SIGMAR1 Q99720 2/20 0.53
POLB P06746 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ATM Q13315 1/20 0.53
DRD4 P21917 2/20 0.52
DRD2 P14416 1/20 0.52
ACHE P22303 2/20 0.49

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
SCHEMBL19658843 0.87 KDM4E (0.61) KDM4EALDH1A1MAPTCCR5MCHR1
SCHEMBL19652140 0.85 DRD2 (0.54) KDM4EALDH1A1CCR5SIGMAR1MEN1
SCHEMBL19652261 0.84 CCR5 (0.55) KDM4EALDH1A1MAPTCCR5SIGMAR1
SCHEMBL28801570 0.78 SIGMAR1 (0.70) KDM4EALDH1A1MAPTSIGMAR1POLB
SCHEMBL22674304 0.77 SIGMAR1 (0.65) KDM4EALDH1A1MAPTSIGMAR1POLB
SCHEMBL16432718 0.77 CD74 (0.50) KDM4EALDH1A1MAPTCCR5MCHR1
SCHEMBL17828658 0.77 KDM4E (0.50) KDM4EALDH1A1MAPTCCR5MCHR1
SCHEMBL29321604 0.76 SIGMAR1 (0.57) CCR5SIGMAR1DRD2
SCHEMBL20665217 0.76 ALDH1A1 (0.74) KDM4EALDH1A1MAPTSIGMAR1MEN1
SCHEMBL29321598 0.76 SIGMAR1 (0.57) CCR5SIGMAR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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 (2 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 KDM4E 320/4885ALDH1A1 1563/4885MAPT 1414/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 KDM4E 320/4885ALDH1A1 1563/4885MAPT 1414/4885

“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.