SCHEMBL5415337

SCHEMBL5415337

Cc1c(CN2CCC(c3c(Cl)cccc3Cl)CC2)c2ccccc2n1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PLA2G2A P14555 1/20 0.46
GFER P55789 1/20 0.46
HTR2A P28223 1/20 0.44
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
CYP19A1 P11511 1/20 0.41
OPRL1 P41146 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ACHE P22303 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CXCR4 P61073 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.40

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
Hydrochloric Acid SCHEMBL5415210 0.99 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4ETDP1PLA2G2A
SCHEMBL5422882 0.90 KDM4E (0.50) ALDH1A1SMN1; SMN2KDM4ETDP1PLA2G2A
Hydrochloric Acid SCHEMBL5419432 0.89 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4ETDP1PLA2G2A
SCHEMBL5417006 0.88 OPRL1 (0.39) SMN1; SMN2KDM4EDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL5419849 0.87 OPRL1 (0.39) ALDH1A1SMN1; SMN2KDM4ETDP1OPRL1
SCHEMBL5425389 0.85 HTR2A (0.51) ALDH1A1HTR2ADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL5425346 0.84 HTR2A (0.50) ALDH1A1HTR2ADRD2DRD4DRD3
SCHEMBL5415247 0.83 HTR2A (0.44) HTR2ADRD2DRD4DRD3OPRM1
SCHEMBL4779433 0.81 PTGDR2 (0.50) ALDH1A1SMN1; SMN2KDM4ETDP1PTGDR2
SCHEMBL5425904 0.81 MEN1 (0.47) ALDH1A1TDP1HTR2ADRD2DRD4

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-20070197603-A1 Substituted indole ligands for the orl-1 receptor GLAXOSMITHKLINE S.P.A. (IT) 2007-08-23 US claimed
US-20070197603-A1 Substituted indole ligands for the orl-1 receptor GLAXOSMITHKLINE S.P.A. (IT) 2007-08-23 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-20070197603-A1 Substituted indole ligands for the orl-1 receptor OGFRL1, OPRL1, ORMDL3 ALDH1A1 649/4885SMN1; SMN2 4321/4885KDM4E 4457/4885

“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.