SCHEMBL19652131

SCHEMBL19652131

Cc1ccc(CN2CCC(N(C)C(=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.52
DRD2 P14416 3/20 0.49
HTR2A P28223 3/20 0.49
HTR2C P28335 3/20 0.49
HTR2B P41595 3/20 0.49
SIGMAR1 Q99720 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GPR119 Q8TDV5 5/20 0.48
HRH1 P35367 1/20 0.48
KDM4E B2RXH2 1/20 0.45
CCR3 P51677 1/20 0.45
CACNA1I Q9P0X4 1/20 0.45

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
SCHEMBL13588400 0.88 SIGMAR1 (0.62) KCNH2DRD2HTR2AHTR2CHTR2B
SCHEMBL19652144 0.86 CHRM2 (0.54) KCNH2SIGMAR1
SCHEMBL19652125 0.85 CCR5 (0.51) KCNH2DRD2HTR2AHTR2CHTR2B
SCHEMBL19658472 0.85 KCNH2 (0.53) KCNH2DRD2HTR2AHTR2CHTR2B
SCHEMBL19658765 0.83 OPRM1 (0.56) KCNH2DRD2HTR2AHTR2CHTR2B
SCHEMBL19652161 0.82 ACHE (0.50) KCNH2L3MBTL1HRH1CACNA1I
SCHEMBL19652090 0.81 SIGMAR1 (0.54) KCNH2DRD2HTR2AHTR2CHTR2B
SCHEMBL12074554 0.78 ALDH1A1 (0.56) KCNH2L3MBTL1HRH1
SCHEMBL19652127 0.77 MLNR (0.52) KCNH2DRD2HTR2AHTR2CHTR2B
SCHEMBL5413141 0.76 KCNH2 (0.67) KCNH2DRD2HTR2AHTR2CHTR2B

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 KCNH2 3447/4885DRD2 2016/4885HTR2A 3753/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 KCNH2 3447/4885DRD2 2016/4885HTR2A 3753/4885

“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.