SCHEMBL5088985

SCHEMBL5088985

O=C1Nc2cc(O)ccc2CN1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.58
CHRM3 P20309 8/20 0.53
CHRM2 P08172 7/20 0.53
ACHE P22303 3/20 0.49
RAMP1 O60894 2/20 0.48
CALCRL Q16602 2/20 0.48
CTSS P25774 4/20 0.47
PDK2 Q15119 1/20 0.47
DRD2 P14416 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 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
SCHEMBL3596998 0.91 CHRM4 (0.58) CHRM4CHRM3CHRM2ACHERAMP1
SCHEMBL2980917 0.87 CTSS (0.57) CHRM4CHRM3CHRM2ACHECALCRL
SCHEMBL9046543 0.86 CHRM4 (0.70) CHRM4CHRM3CHRM2ACHERAMP1
SCHEMBL5091174 0.84 CHRM3 (0.58) CHRM4CHRM3CHRM2ACHEDRD2
SCHEMBL3958065 0.83 CHRM4 (0.56) CHRM4CHRM3CHRM2ACHERAMP1
SCHEMBL3967246 0.82 CHRM4 (0.65) CHRM4CHRM3CHRM2ACHERAMP1
SCHEMBL4608265 0.81 CHRM4 (0.55) CHRM4CHRM3CHRM2RAMP1CALCRL
SCHEMBL3960194 0.80 CHRM4 (0.55) CHRM4CHRM3CHRM2ACHECALCRL
SCHEMBL4146115 0.78 CHRM4 (0.55) CHRM4CHRM3CHRM2ACHERAMP1
SCHEMBL3959945 0.77 CHRM4 (0.55) CHRM4CHRM3CHRM2ACHEDRD2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407963-B2 Cyclopropane CGRP antagonists, medicaments containing these compounds, and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-08-05 US disclosed
US-20050267137-A1 Cyclopropane CGRP antagonists, medicaments containing these compounds, and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-12-01 US disclosed
EP-1228059-B1 NOVEL CYCLOPROPANES AS CGRP ANTAGONISTS, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA (DE) 2005-08-03 EP disclosed
CN-1177844-C Cyclopropanes as CGRP antagonists, medicaments contg. said compounds and method for production thereof ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-12-01 CN disclosed
US-20030139417-A1 Cyclopropane CGRP antagonists, medicaments containing these compounds, and method for the production thereof BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-24 US disclosed
CN-1387526-A Cyclopropanes as CGRP antagonists, medicaments contg. said compounds and method for production thereof BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-25 CN 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 (2 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-20050267137-A1 Cyclopropane CGRP antagonists, medicaments containing these compounds, and method for the production thereof CALCRL, CALCA, CALCR CHRM4 660/4885CHRM3 386/4885CHRM2 318/4885
US-20030139417-A1 Cyclopropane CGRP antagonists, medicaments containing these compounds, and method for the production thereof CALCA, CALCRL, CALCB CHRM4 860/4885CHRM3 514/4885CHRM2 410/4885

“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.