SCHEMBL1207357

SCHEMBL1207357

CCC(C(=O)O)C1CCN(C2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ RECQL P46063 1/20 0.55
▸ ACHE P22303 2/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ CHRM4 P08173 1/20 0.50
▸ ABL1 P00519 1/20 0.49
▸ RIN1 Q13671 1/20 0.49
▸ OPRM1 P35372 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL1205432 0.81 CHRM4 (0.52) SMN1; SMN2RECQLACHEKDM4EALDH1A1
SCHEMBL16681129 0.79 CPN1 (0.45) SMN1; SMN2KDM4EALDH1A1OPRM1
SCHEMBL3314251 0.79 SMN1; SMN2 (0.54) SMN1; SMN2RECQLACHEKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1461761 0.78 SMN1; SMN2 (0.53) SMN1; SMN2RECQLACHEKDM4EALDH1A1
SCHEMBL2085351 0.77 NPC1 (0.61) SMN1; SMN2RECQLACHEALDH1A1DRD2
SCHEMBL3959065 0.76 ACHE (0.66) SMN1; SMN2RECQLACHEKDM4EALDH1A1
SCHEMBL2085442 0.76 SMN1; SMN2 (0.56) SMN1; SMN2RECQLACHEDRD2DRD4
SCHEMBL3709310 0.76 RECQL (0.70) SMN1; SMN2RECQLACHEKDM4EALDH1A1
SCHEMBL2088709 0.76 KDM4E (0.58) SMN1; SMN2RECQLACHEKDM4EALDH1A1
SCHEMBL1016673 0.76 ABL1 (0.47) ACHEABL1RIN1OPRM1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034444-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-10 — — US disclosed
US-7858622-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 — — US disclosed
US-20100004228-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-07 — — US disclosed
US-7579341-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-25 — — US disclosed
US-20070049581-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-01 — — 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 (3 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-20100004228-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, CALCA SMN1; SMN2 4312/4885RECQL 383/4885ACHE 811/4885
US-20070049581-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA SMN1; SMN2 4312/4885RECQL 383/4885ACHE 811/4885
US-20110034444-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, CALCA SMN1; SMN2 4312/4885RECQL 383/4885ACHE 811/4885

“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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