SCHEMBL19083939

SCHEMBL19083939

CC1CCN(Cc2cc(C(F)(F)F)cc(C3CC3)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.45
SLC6A4 P31645 7/20 0.45
KCNH2 Q12809 7/20 0.45
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CRHR1 P34998 1/20 0.39
CNR2 P34972 1/20 0.39
GRM2 Q14416 2/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
ACHE P22303 2/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL19075523 0.87 KCNH2 (0.44) TACR1SLC6A4KCNH2GRM2DRD2
SCHEMBL21075678 0.87 TACR1 (0.43) TACR1SLC6A4KCNH2GRM2DRD2
SCHEMBL21075333 0.86 KCNH2 (0.44) TACR1SLC6A4KCNH2HPGDKMT2A
SCHEMBL21075802 0.84 TACR1 (0.49) TACR1SLC6A4KCNH2KMT2AHRH3
SCHEMBL16770692 0.77 TACR1 (0.46) TACR1SLC6A4KCNH2HPGDKMT2A
SCHEMBL17061916 0.74 TACR1 (0.46) TACR1SLC6A4KCNH2HPGDKMT2A
SCHEMBL17828179 0.73 ACHE (0.49) DRD2DRD4ACHEHRH3
SCHEMBL17069228 0.73 TACR1 (0.44) TACR1SLC6A4KCNH2CNR2ACHE
SCHEMBL4021955 0.73 TACR1 (0.45) TACR1SLC6A4KCNH2HPGDGRM2
SCHEMBL4023227 0.73 KCNH2 (0.45) TACR1SLC6A4KCNH2HPGDKMT2A

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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 TACR1 307/4885SLC6A4 1914/4885KCNH2 1406/4885

“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.