SCHEMBL10176262

SCHEMBL10176262

Cc1c(CN2CCCCC2)cnn1-c1ccc(C(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.55
DRD4 P21917 2/20 0.55
DRD3 P35462 2/20 0.55
DRD2 P14416 1/20 0.55
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
MCHR1 Q99705 3/20 0.42
HRH3 Q9Y5N1 1/20 0.41
NPBWR1 P48145 2/20 0.41
KCNH2 Q12809 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
AXL P30530 1/20 0.38

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
SCHEMBL11947307 0.82 SMO (0.55) SMODRD4DRD3DRD2TMEM97
SCHEMBL6532686 0.77 NPBWR1 (0.54) SMODRD4DRD3DRD2MCHR1
SCHEMBL6532967 0.77 NPBWR1 (0.44) SMODRD4DRD3DRD2MCHR1
SCHEMBL10226104 0.74 SMO (0.63) SMODRD4DRD3DRD2MAPK1
SCHEMBL10360539 0.72 SMO (0.64) SMODRD4DRD3DRD2
SCHEMBL2503327 0.72 DRD4 (0.60) SMODRD4DRD3DRD2HCAR2
SCHEMBL11955379 0.71 SMO (0.59) SMODRD4DRD3DRD2
SCHEMBL172295 0.71 SMO (0.72) SMODRD4DRD3DRD2MAPK1
SCHEMBL22924531 0.70 NPBWR1 (0.44) MCHR1NPBWR1
Hydrochloric Acid SCHEMBL124002 0.70 SMO (0.70) SMODRD4DRD3DRD2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 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-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX SMO 4155/4885DRD4 2844/4885DRD3 4375/4885

“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.