SCHEMBL19652144

SCHEMBL19652144

COc1ccc(CN2CCC(N(C)C(=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.54
CHRM3 P20309 1/20 0.54
MCHR1 Q99705 1/20 0.53
SIGMAR1 Q99720 2/20 0.51
CCR5 P51681 1/20 0.50
ACHE P22303 3/20 0.49
KCNH2 Q12809 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
FAAH O00519 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD4 P21917 1/20 0.47

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
SCHEMBL19652131 0.86 KCNH2 (0.52) SIGMAR1KCNH2
SCHEMBL19658476 0.86 CHRM2 (0.57) CHRM2CHRM3MCHR1SIGMAR1CCR5
SCHEMBL13588400 0.85 SIGMAR1 (0.62) CHRM2CHRM3SIGMAR1ACHEKCNH2
SCHEMBL19652125 0.82 CCR5 (0.51) SIGMAR1CCR5ACHEKCNH2MEN1
SCHEMBL10893210 0.81 CHRM2 (0.56) CHRM2CHRM3SIGMAR1ACHEMEN1
SCHEMBL5862792 0.80 KCNH2 (0.72) CHRM2CHRM3MCHR1SIGMAR1CCR5
SCHEMBL19652090 0.78 SIGMAR1 (0.54) CHRM2CHRM3SIGMAR1CCR5ACHE
SCHEMBL6990156 0.75 S1PR5 (0.67) SIGMAR1MEN1KMT2A
SCHEMBL3599854 0.75 CCR5 (0.58) CHRM2CCR5ACHEKCNH2
SCHEMBL2390775 0.74 MEN1 (0.68) CHRM2CHRM3MCHR1SIGMAR1ACHE

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 CHRM2 1058/4885CHRM3 1613/4885MCHR1 2667/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 CHRM2 1058/4885CHRM3 1613/4885MCHR1 2667/4885

“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.