SCHEMBL6776252

SCHEMBL6776252

OCCCCC1CCN(C2c3ccccc3CCc3ccccc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.50
CHRM4 P08173 7/20 0.50
CHRM5 P08912 7/20 0.50
CHRM1 P11229 7/20 0.50
CHRM3 P20309 7/20 0.50
DRD2 P14416 3/20 0.50
DRD4 P21917 3/20 0.50
DRD3 P35462 3/20 0.50
DRD1 P21728 1/20 0.41

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
SCHEMBL13597056 0.86 CYP2D6 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6783014 0.86 HTR2A (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13597055 0.84 CYP2D6 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6777193 0.84 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8476976 0.79 RET (0.51) DRD2DRD1
SCHEMBL6775686 0.78 ACHE (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14033027 0.77 HTR2A (0.47)
SCHEMBL6773610 0.76 MEN1 (0.41) DRD1
SCHEMBL14051824 0.75 DRD1 (0.42) DRD2DRD1
SCHEMBL8254879 0.73 DRD1 (0.48) DRD2DRD1

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-20040029861-A1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression KLINGE PHARMA GMBH 2004-02-12 US disclosed
EP-0912176-B1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION FUJISAWA DEUTSCHLAND GMBH (DE) 2002-09-25 EP disclosed
US-6451816-B1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression KLINGE PHARMA GMBH (DE) 2002-09-17 US disclosed
EP-0912176-A1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION Klinge Pharma GmbH (DE) 1999-05-06 EP 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-20040029861-A1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression ALK, IDO1, PDXK CHRM2 1075/4885CHRM4 2738/4885CHRM5 2002/4885

“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.