SCHEMBL236171

SCHEMBL236171

C1CN(c2nc(NC3CC3)nc(C3CC3)n2)CCO1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.60
PDE4B Q07343 3/20 0.60
PDE4C Q08493 3/20 0.60
PDE4D Q08499 3/20 0.60
LMNA P02545 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HPGD P15428 1/20 0.52
PIK3CA P42336 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MTOR P42345 3/20 0.43
PIK3CB P42338 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 3/20 0.41
MAPT P10636 1/20 0.40
CHRM3 P20309 1/20 0.40
CYP1A2 P05177 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
Hydrochloric Acid SCHEMBL9425361 0.99 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL8799489 0.94 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL8799001 0.83 LMNA (0.48) PDE4APDE4BPDE4CPDE4DLMNA
Hydrochloric Acid SCHEMBL9425417 0.82 NPSR1 (0.47) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL8798987 0.82 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL11520095 0.82 LMNA (0.51) LMNANPSR1HPGDPIK3CASMN1; SMN2
SCHEMBL8312859 0.81 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL8050135 0.80 NPSR1 (0.65) PDE4ALMNANPSR1HPGDPIK3CA
SCHEMBL8320258 0.80 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL8471627 0.79 NPSR1 (0.47) PDE4APDE4BPDE4CPDE4DLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527117-B1 Substituted cyclopropylamino-1,3,5-triazines UCB SA (BE) 1997-10-29 EP claimed
US-5348956-A Antiinflammatory and antiasthmatic agents UCB S.A. (BE) 1994-09-20 US claimed
US-5258513-A FOR TREATMENT OF ALZHEIMER'S DISEASE, SENILE DEMENTIA, EVOLUTIVE COGNITIVE PATHOLOGIES, DEPRESSION, ANXIETY, MOOD DISTURBANCES, INFLAMMATION AND ASTHMA UCB S.A. (BE) 1993-11-02 US claimed
EP-0527117-A1 Substituted cyclopropylamino-1,3,5-triazines U C B, S.A. (BE) 1993-02-10 EP claimed
US-20170129915-A1 THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH NERVE AXON DYSFUNCTION, INCLUDING THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE RESILIO COMPANY LIMITED (JP) 2017-05-11 US disclosed
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US disclosed
EP-2559693-B1 Polycyclic compound EISAI R&D MAN CO LTD (JP) 2014-11-26 EP disclosed
CN-102333777-B Nitrogen-containing fused heterocyclic compounds and their use as beta-amyloid production inhibitors EISAI R&D MAN CO LTD 2014-06-25 CN disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
CN-101815713-B Polycyclic compounds EISAI R&D MAN CO LTD 2013-09-11 CN disclosed
EP-2615090-A1 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors Eisai R&D Management Co., Ltd. (JP) 2013-07-17 EP disclosed
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 EP disclosed
WO-2010098495-A1 IMIDAZOLYLPYRAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
US-20100130537-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA EISAI R&D MANAGEMENT CO., LTD (JP) 2010-05-27 US disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 EP disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 US disclosed
EP-0527117-B1 Substituted cyclopropylamino-1,3,5-triazines UCB SA (BE) 1997-10-29 EP disclosed
US-5348956-A Antiinflammatory and antiasthmatic agents UCB S.A. (BE) 1994-09-20 US disclosed
US-5258513-A FOR TREATMENT OF ALZHEIMER'S DISEASE, SENILE DEMENTIA, EVOLUTIVE COGNITIVE PATHOLOGIES, DEPRESSION, ANXIETY, MOOD DISTURBANCES, INFLAMMATION AND ASTHMA UCB S.A. (BE) 1993-11-02 US disclosed
EP-0527117-A1 Substituted cyclopropylamino-1,3,5-triazines U C B, S.A. (BE) 1993-02-10 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 (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-20100130537-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA GRIN1, GRIN2A, GRIN3A PDE4A 1337/4885PDE4B 1780/4885PDE4C 1811/4885
US-20170129915-A1 THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH NERVE AXON DYSFUNCTION, INCLUDING THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE GAP43, NGF, BDNF PDE4A 89/4885PDE4B 215/4885PDE4C 187/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 PDE4A 2370/4885PDE4B 2486/4885PDE4C 2902/4885

“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.