SCHEMBL6783014

SCHEMBL6783014

NCCCCC1CCN(C2c3ccccc3CCc3ccccc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.42
RET P07949 1/20 0.42
HRH1 P35367 1/20 0.42
DRD1 P21728 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD2 P14416 1/20 0.40
DRD5 P21918 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
SCHEMBL6776252 0.86 CHRM2 (0.50) DRD1CHRM1CHRM2CHRM4CHRM5
SCHEMBL13597056 0.86 CYP2D6 (0.53) DRD1CHRM1CHRM2CHRM4CHRM5
SCHEMBL8476976 0.85 RET (0.51) HTR2ARETDRD1DRD2DRD5
SCHEMBL13597055 0.84 CYP2D6 (0.51) DRD1CHRM1CHRM2CHRM4CHRM5
SCHEMBL6160907 0.80 P2RX7 (0.56)
SCHEMBL6775686 0.78 ACHE (0.55) HRH1CHRM1CHRM2CHRM4CHRM5
SCHEMBL8254879 0.77 DRD1 (0.48) HTR2ARETDRD1DRD2DRD5
SCHEMBL6773610 0.76 MEN1 (0.41) DRD1
SCHEMBL14051824 0.75 DRD1 (0.42) DRD1DRD2DRD5
SCHEMBL11625166 0.75 SIGMAR1 (0.52) HTR2ARETHRH1CHRM1CHRM2

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 HTR2A 1986/4885RET 993/4885HRH1 80/4885

“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.