SCHEMBL2265769

SCHEMBL2265769

Fc1[c]ccc(C2CCCNC2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.48
DRD3 P35462 1/20 0.48
KCNH2 Q12809 2/20 0.46
CYP2D6 P10635 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HTR2A P28223 3/20 0.45
HTR2C P28335 1/20 0.39
HTR3A P46098 1/20 0.38
CHRM1 P11229 1/20 0.36
HRH1 P35367 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
SCHEMBL29158032 0.81 QDPR (0.47) SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL432693 0.81 KMO (0.39) KCNH2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL1419195 0.80 POLB (0.32) HTR2C
SCHEMBL1244751 0.75 DRD2 (0.51) DRD2DRD3KCNH2CYP2D6SLC6A2
SCHEMBL24127250 0.75 CYP2D6 (0.54) DRD2DRD3KCNH2CYP2D6SLC6A2
SCHEMBL30499231 0.73 DRD2 (0.62) DRD2DRD3KCNH2CYP2D6SLC6A2
SCHEMBL25305365 0.73 DRD2 (0.62) DRD2DRD3KCNH2CYP2D6SLC6A2
SCHEMBL568419 0.73 DRD2 (0.62) DRD2DRD3KCNH2CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL567646 0.72 DRD2 (0.60) DRD2DRD3KCNH2CYP2D6SLC6A2
SCHEMBL24127329 0.72 DRD2 (0.47) DRD2DRD3KCNH2CYP2D6SLC6A2

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
EP-2007733-B1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS MSD ITALIA SRL (IT) 2016-05-25 EP disclosed
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-18 US disclosed
US-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-11-05 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-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 DRD2 4330/4885DRD3 4069/4885KCNH2 3756/4885
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 DRD2 4330/4885DRD3 4069/4885KCNH2 3756/4885

“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.