SCHEMBL13921290

SCHEMBL13921290

CN1CCC(=C2c3ccccc3Cc3ccccc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SETD7 Q8WTS6 5/20 0.82
▸ DRD1 P21728 7/20 0.66
▸ DRD3 P35462 7/20 0.66
▸ CHRM2 P08172 7/20 0.66
▸ CHRM1 P11229 7/20 0.66
▸ ADRA1A P35348 6/20 0.66
▸ KCNH2 Q12809 6/20 0.66
▸ ADRA2A P08913 6/20 0.66
▸ HTR1A P08908 5/20 0.66
▸ HTR2A P28223 5/20 0.66
▸ HTR2C P28335 5/20 0.66
▸ HRH1 P35367 5/20 0.66
▸ DRD2 P14416 5/20 0.66
▸ SLC6A2 P23975 4/20 0.66
▸ SLC6A4 P31645 4/20 0.66
▸ SLC6A3 Q01959 4/20 0.66
▸ HTR2B P41595 4/20 0.66
▸ ADRA2B P18089 4/20 0.66
▸ CYP2D6 P10635 3/20 0.66
▸ CYP2C19 P33261 3/20 0.66

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
SCHEMBL7817056 0.90 SETD7 (1.00) SETD7DRD1DRD3CHRM2CHRM1
SCHEMBL9167976 0.87 SETD7 (0.86) SETD7DRD1DRD3CHRM2CHRM1
SCHEMBL11780074 0.87 CHRM2 (0.69) SETD7DRD1DRD3CHRM2CHRM1
SCHEMBL9631147 0.86 SETD7 (1.00) SETD7DRD1DRD3CHRM2CHRM1
SCHEMBL10728179 0.80 DRD1 (0.86) SETD7DRD1DRD3CHRM2CHRM1
SCHEMBL11600017 0.80 SETD7 (0.71) SETD7DRD1DRD3CHRM2CHRM1
Cyproheptadine SCHEMBL29369949 0.79 SETD7 (1.00) SETD7DRD1DRD3CHRM2CHRM1
Cyproheptadine SCHEMBL7923153 0.79 SETD7 (1.00) SETD7DRD1DRD3CHRM2CHRM1
Cyproheptadine SCHEMBL4021 0.79 SETD7 (1.00) SETD7DRD1DRD3CHRM2CHRM1
Danitracen SCHEMBL2734228 0.79 SETD7 (0.67) SETD7DRD1DRD3CHRM2CHRM1

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-7511064-B2 Derivatives of 4-(thio- or selenoxanthene-9-ylidene)-piperidine or acridine and its use as a selective 5-HT2B receptor antagonist BIOFRONTERA BIOSCIENCE GMBH (DE) 2009-03-31 — — US disclosed
US-20080152640-A1 Means and Methods For Treating a Disease Which is Associated With an Excess Transport of Hyaluronan Across a Lipid Bilayer UNIVERSITATSKLINIKUM MUNSTER (DE) 2008-06-26 — — 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-20080152640-A1 Means and Methods For Treating a Disease Which is Associated With an Excess Transport of Hyaluronan Across a Lipid Bilayer ABCB1, ABCB11, SLC47A2 SETD7 4231/4885DRD1 3975/4885DRD3 3829/4885

“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.

Send feedback