SCHEMBL1743736

SCHEMBL1743736

O=C1Nc2ccccc2C2(CCNCC2)N1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 15/20 0.73
AKR1B1 P15121 2/20 0.50
BACE1 P56817 1/20 0.49
PDE7B Q9NP56 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
PLD1 Q13393 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
SCHEMBL31285823 1.00 PDE7A (0.73) PDE7AAKR1B1BACE1PDE7BPDK2
Hydrochloric Acid SCHEMBL3883238 0.98 PDE7A (0.71) PDE7AAKR1B1BACE1PDE7BPDK2
SCHEMBL18490908 0.90 PDE7A (0.64) PDE7AAKR1B1BACE1PDE7BPDK2
SCHEMBL29793337 0.84 PDE7A (1.00) PDE7AAKR1B1PDE7B
SCHEMBL299646 0.84 PDE7A (1.00) PDE7AAKR1B1PDE7B
SCHEMBL9912018 0.79 PDE7A (0.67) PDE7AAKR1B1PDK2PDK4PLD1
SCHEMBL13068678 0.79 PDE7A (0.67) PDE7AAKR1B1PDE7BPLD1
SCHEMBL13880277 0.79 PDE7A (0.67) PDE7AAKR1B1PDK2PDK4PLD1
SCHEMBL14156534 0.75 PDE7A (0.61) PDE7AAKR1B1PDK2PDK4PLD1
SCHEMBL3603194 0.74 PDE7A (0.76) PDE7AAKR1B1BACE1PDE7B

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4559896-A1 PH-SENSITIVE CATIONIC LIPID AND LIPID NANOPARTICLE National University Corporation Hokkaido University (JP) 2025-05-28 EP disclosed
WO-2024018762-A1 PH-SENSITIVE CATIONIC LIPID AND LIPID NANOPARTICLE 国立大学法人北海道大学 2024-01-25 WO disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
EP-2225227-B1 1',3'-Dihydrospiro[imidazolidin-4,2'-inden]-2,5-diones and 1,3-dihydrospiro[inden-2,3']-pyrroles as CGRP antagonists BOEHRINGER INGELHEIM INT (DE) 2015-08-26 EP disclosed
EP-2013214-B1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
EP-2386558-B1 CGRP antagonists BOEHRINGER INGELHEIM INT (DE) 2014-10-01 EP disclosed
EP-2386558-B1 CGRP antagonists BOEHRINGER INGELHEIM INT (DE) 2014-10-01 EP disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
US-20130245009-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
EP-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 EP disclosed
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070149503-A1 ANTI-MIGRAINE SPIROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070149503-A1 ANTI-MIGRAINE SPIROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070149502-A1 SPIROCYCLIC ANTI-MIGRAINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 US disclosed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 US disclosed
US-20060229447-A1 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-10-12 US disclosed
WO-2006052378-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-18 WO disclosed
US-20060094707-A1 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-05-04 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 (6 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-20060229447-A1 Constrained compounds as CGRP-receptor antagonists CALCR, BDKRB2, CALCRL PDE7A 1259/4885AKR1B1 2346/4885BACE1 297/4885
US-20060094707-A1 Constrained compounds as CGRP-receptor antagonists CALCR, BDKRB2, CALCRL PDE7A 1259/4885AKR1B1 2346/4885BACE1 297/4885
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds VDAC1, HTR3B, FAAH PDE7A 208/4885AKR1B1 4781/4885BACE1 431/4885
US-20070149503-A1 ANTI-MIGRAINE SPIROCYCLES CALCRL, CALCR, CALCA PDE7A 1097/4885AKR1B1 1109/4885BACE1 511/4885
US-20070149502-A1 SPIROCYCLIC ANTI-MIGRAINE COMPOUNDS CALCRL, CALCR, CALCA PDE7A 1052/4885AKR1B1 1354/4885BACE1 550/4885
US-20130245009-A1 NOVEL COMPOUNDS CALCRL, CALCR, BDKRB2 PDE7A 674/4885AKR1B1 566/4885BACE1 411/4885

“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.