SCHEMBL19652125

SCHEMBL19652125

CN(C(=O)C(C)(C)C)C1CCN(Cc2ccc(C#N)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.51
MLNR O43193 1/20 0.50
KCNH2 Q12809 4/20 0.48
PRKAA2 P54646 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD2 P14416 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46

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
SCHEMBL19658764 0.86 MEN1 (0.54) CCR5MLNRKCNH2PRKAA2MEN1
SCHEMBL19652127 0.86 MLNR (0.52) CCR5MLNRKCNH2DRD2HTR2A
SCHEMBL19652131 0.85 KCNH2 (0.52) KCNH2DRD2HTR2AHTR2CHTR2B
SCHEMBL13478887 0.84 CCR5 (0.57) CCR5MLNRKCNH2PRKAA2MEN1
SCHEMBL13588400 0.84 SIGMAR1 (0.62) KCNH2DRD2HTR2AHTR2CHTR2B
SCHEMBL19652144 0.82 CHRM2 (0.54) CCR5KCNH2MEN1KMT2ASIGMAR1
SCHEMBL16569508 0.81 HRH3 (0.54) MLNRPRKAA2MEN1CYP1A2CYP2C9
SCHEMBL19652090 0.77 SIGMAR1 (0.54) CCR5KCNH2DRD2HTR2AHTR2C
SCHEMBL17975502 0.76 HRH3 (0.61) CCR5MLNRPRKAA2SIGMAR1
SCHEMBL12384426 0.75 HRH3 (0.52) MLNRKCNH2PRKAA2MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 CCR5 1178/4885MLNR 4453/4885KCNH2 3447/4885

“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.