SCHEMBL5093015

SCHEMBL5093015

COc1ccc(CNC2CCN(Cc3ccccc3)CC2)c(N)c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ POLB P06746 1/20 0.65
▸ ACHE P22303 12/20 0.60
▸ BACE1 P56817 11/20 0.60
▸ BCHE P06276 9/20 0.60
▸ SIGMAR1 Q99720 4/20 0.58
▸ MCHR1 Q99705 1/20 0.54

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
SCHEMBL3956766 0.83 MEN1 (0.57) KMT2AMEN1POLBACHEBACE1
SCHEMBL2983341 0.83 ACHE (0.78) KMT2AMEN1POLBACHEBACE1
SCHEMBL2258425 0.83 KMT2A (0.60) KMT2AMEN1POLBACHEBACE1
SCHEMBL5093064 0.82 KMT2A (0.63) KMT2AMEN1POLBACHEBACE1
SCHEMBL3594567 0.82 ACHE (0.71) KMT2AMEN1POLBACHEBACE1
Hydrochloric Acid SCHEMBL11100747 0.81 ACHE (0.70) KMT2AMEN1POLBACHEBACE1
Hydrochloric Acid SCHEMBL15006724 0.81 ACHE (0.70) KMT2AMEN1POLBACHEBACE1
Hydrochloric Acid SCHEMBL15006925 0.81 ACHE (0.70) KMT2AMEN1POLBACHEBACE1
SCHEMBL16480389 0.77 KMT2A (0.61) KMT2AMEN1POLBACHEBACE1
SCHEMBL3599966 0.76 MEN1 (0.69) KMT2AMEN1POLBACHEBACE1

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-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
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

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 KMT2A 4833/4885MEN1 864/4885POLB 3821/4885
US-20030139417-A1 Cyclopropane CGRP antagonists, medicaments containing these compounds, and method for the production thereof CALCA, CALCRL, CALCB KMT2A 4857/4885MEN1 667/4885POLB 3505/4885

“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.

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