SCHEMBL4994306

SCHEMBL4994306

N#Cc1cc(C(N)=O)ccc1N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
LMNA P02545 4/20 0.54
KDM4E B2RXH2 3/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 2/20 0.49
XDH P47989 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 3/20 0.45
TSHR P16473 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPT P10636 2/20 0.44
NSD2 O96028 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL20702814 0.86 SLC6A5 (0.56) ALDH1A1LMNAPOLBMAPK1XDH
SCHEMBL20703336 0.83 NPC1 (0.50) ALDH1A1LMNAKDM4EMAPK1XDH
SCHEMBL3636284 0.83 ALDH1A1 (0.46) ALDH1A1LMNAKDM4ESMN1; SMN2HSD17B10
SCHEMBL20703442 0.82 GSK3B (0.59) ALDH1A1LMNAKDM4EMAPK1XDH
SCHEMBL2744730 0.81 SMN1; SMN2 (0.59) ALDH1A1LMNAKDM4EPOLBMAPK1
SCHEMBL15777997 0.81 SMN1; SMN2 (0.70) ALDH1A1LMNAKDM4EPOLBMAPK1
SCHEMBL3120753 0.81 ALDH1A1 (0.54) ALDH1A1LMNAKDM4EPOLBMAPK1
SCHEMBL10758573 0.80 XDH (0.49) ALDH1A1LMNAPOLBMAPK1XDH
SCHEMBL10702713 0.80 NPC1 (0.53) ALDH1A1LMNAMAPK1XDHSMN1; SMN2
SCHEMBL1397520 0.79 HPGD (0.68) ALDH1A1LMNAKDM4EPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182050-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2005-08-18 US claimed
US-6812225-B2 PYSCHOLOGICAL DISORDERS; ANTIDEPRESSANTS ASTRAZENECA AB (SE) 2004-11-02 US claimed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 US claimed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
US-20080076759-A1 Therapeutic Heterocyclic Compounds 507 ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-7285662-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-20060178372-A1 Therapeutic quinoline compounds ASTRAZENECA AB (SE) 2006-08-10 US disclosed
US-7045514-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2006-05-16 US disclosed
US-7026314-B2 Psychological disorders, antidepressants, anxiolytic agents, eating disorders; serotonin receptors antagonist ASTRAZENECA AB (SE) 2006-04-11 US disclosed
US-20060019947-A1 Therapeutic chromone compounds CHAPDELAINE MARC 2006-01-26 US disclosed
US-20050182050-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2005-08-18 US disclosed
EP-1353914-A2 THERAPEUTIC CHROMONE COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353915-A2 THERAPEUTIC CHROMAN COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353913-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
WO-2003037871-A1 THERAPEUTIC QUINOLONE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
WO-2003037872-A1 THERAPEUTIC QUINOLINE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 US disclosed
WO-2002055012-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055013-A2 THERAPEUTIC CHROMONE COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055014-A2 THERAPEUTIC CHROMAN COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO 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 (5 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-20080076759-A1 Therapeutic Heterocyclic Compounds 507 HTR1A, HTR1B, HTR1D ALDH1A1 592/4885LMNA 1891/4885KDM4E 1536/4885
US-20060178372-A1 Therapeutic quinoline compounds HTR1B, HTR3B, HTR1A ALDH1A1 922/4885LMNA 1636/4885KDM4E 1274/4885
US-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A ALDH1A1 517/4885LMNA 1663/4885KDM4E 1622/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B ALDH1A1 399/4885LMNA 1808/4885KDM4E 1450/4885
US-20060019947-A1 Therapeutic chromone compounds HTR1B, HTR3B, HTR1A ALDH1A1 1200/4885LMNA 1021/4885KDM4E 1678/4885

“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.