SCHEMBL13033451

SCHEMBL13033451

Clc1cc(N2CCN(Cc3ccccc3)CC2)ccc1-c1nc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.55
ACHE P22303 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2C P18825 1/20 0.52
HTR2A P28223 1/20 0.52
DRD2 P14416 6/20 0.51
DRD3 P35462 5/20 0.51
NPC1 O15118 2/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
KDM1A O60341 1/20 0.46

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
SCHEMBL13033438 0.91 DRD4 (0.55) DRD4ACHEHTR1AADRA2CHTR2A
SCHEMBL13033490 0.91 DRD2 (0.55) DRD4ACHEHTR1AHTR2ADRD2
SCHEMBL13033469 0.89 KDM4E (0.56) DRD4ACHEHTR1AHTR2ADRD2
SCHEMBL13033484 0.87 KDM4E (0.52) DRD4HTR1AADRA2CDRD2DRD3
SCHEMBL13033485 0.84 GRIN2B (0.52) DRD4ACHEDRD2DRD3NPC1
SCHEMBL13033444 0.82 KDM4E (0.48) DRD4ACHEHTR1AADRA2CHTR2A
SCHEMBL13033461 0.80 KDM4E (0.46) DRD4ACHEHTR1AADRA2CHTR2A
SCHEMBL13033473 0.80 DRD4 (0.60) DRD4DRD2DRD3NPC1GAA
SCHEMBL13033474 0.79 KDM4E (0.56) DRD4ACHEDRD2DRD3NPC1
SCHEMBL17969416 0.79 DRD4 (0.49) DRD4ACHEHTR1AADRA2CHTR2A

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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 US disclosed
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO DRD4 4669/4885ACHE 4747/4885HTR1A 3087/4885

“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.