SCHEMBL12424420

SCHEMBL12424420

CC1CCN(Cc2csc(C(F)(F)F)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.46
LMNA P02545 1/20 0.45
SCN1A P35498 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ACHE P22303 4/20 0.40
HRH3 Q9Y5N1 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 3/20 0.38
HTR2A P28223 2/20 0.38
ENPP2 Q13822 2/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
CRHR1 P34998 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL12425782 0.86 HRH1 (0.44) HRH1LMNASCN1ASCN8ASMN1; SMN2
SCHEMBL12384560 0.86 HRH1 (0.47) HRH1LMNASCN1ASCN8AALDH1A1
SCHEMBL12384599 0.85 HRH1 (0.43) HRH1LMNASCN1ASCN8AALDH1A1
SCHEMBL12424314 0.71 ACHE (0.47) SCN1ASCN8AACHEHRH3DRD2
SCHEMBL15214330 0.71 DRD2 (0.44) HRH1LMNAALDH1A1ACHEHRH3
SCHEMBL31010156 0.70 HRH1 (0.64) HRH1LMNAALDH1A1SMN1; SMN2DRD2
SCHEMBL15014648 0.69 TRPC3 (0.54) LMNAALDH1A1ACHESMN1; SMN2
SCHEMBL9262966 0.69 MCHR1 (0.34) HRH1POLB
SCHEMBL19083939 0.69 TACR1 (0.45) ACHEHRH3SMN1; SMN2DRD2DRD4
SCHEMBL12424287 0.68 DDB1 (0.49) ALDH1A1ACHEHRH3DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 HRH1 103/4885LMNA 1043/4885SCN1A 3687/4885

“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.