SCHEMBL3081344

SCHEMBL3081344

N#Cc1ccccc1OCCCCBr

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
FFAR1 O14842 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR1A P08908 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
MAOA P21397 1/20 0.41
HTR2B P41595 1/20 0.41
HTR7 P34969 1/20 0.41
POLB P06746 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
SCHEMBL30826934 0.98 ALDH1A1 (0.50) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL1942660 0.95 ALDH1A1 (0.53) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL11748737 0.89 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8985764 0.82 ALDH1A1 (0.55) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL10356325 0.82 ALDH1A1 (0.56) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5987538 0.82 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3825769 0.82 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL7088474 0.82 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL7978087 0.81 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL31096462 0.81 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
US-6992085-B2 Octahydro-2H-pyrido[1,2-a]pyrazine compounds LES LABORATORIES SERVIER (FR) 2006-01-31 US disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO disclosed
CN-1197863-C NOvel octahydro-2H-pyridino-[1,2-a] pyrazine compound, its prepn. process and medicinal compound contg. them SERVIER LAB (FR) 2005-04-20 CN disclosed
EP-1275647-B1 Octahydro-2H-pyrido[1,2-a]pyrazine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-11-12 EP disclosed
US-20030195216-A1 Octahydro-2H-pyrido[1,2-a] pyrazine compounds LES LABORATOIRES SERVIER (FR) 2003-10-16 US disclosed
US-20030130232-A1 Amidine derivatives, the preparation and use thereof as medicaments with LTB4 antagonistic effect BOEHRINGER INGELHEIM KG (DE) 2003-07-10 US disclosed
CN-1397557-A NOvel octahydro-2H-pyridino-[1,2-a] pyrazine compound, its prepn. process and medicinal compound contg. them SAVOIREN LAB (FR) 2003-02-19 CN disclosed
EP-1275647-A1 Octahydro-2H-pyrido[1,2-a]pyrazine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-01-15 EP disclosed
US-6489365-B1 LTB4-ANTAGONISTIC COMPOUNDS FOR TREATMENT OF INFLAMMATION, ALLERGY OR GASTROPATHY INDUCED BY NON-STEROIDAL ANTIINFLAMMATORY AGENTS IN A WARM-BLOODED ANIMALS BOEHRINGER INGELHEIM KG (DE) 2002-12-03 US disclosed
EP-0902013-B1 Novel amidine derivatives, their preparation and their use as medicaments with LTB-4 antagonistic effect BOEHRINGER INGELHEIM INT (DE) 2001-12-12 EP disclosed
US-6037377-A ANTIINFLAMMATORY AGENTS AND ANTIALLERGENS BOEHRINGER INGELHEIM KG (DE) 2000-03-14 US disclosed
EP-0902013-A1 Novel amidine derivatives, their preparation and their use as medicaments with LTB-4 antagonistic effect BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 1999-03-17 EP disclosed
EP-0625138-A1 NOVEL AMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDIAMENTS WITH LTB-4 ANTAGONISTIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 1994-11-23 EP disclosed
WO-1993016036-A1 NOVEL AMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDIAMENTS WITH LTB-4 ANTAGONISTIC EFFECT BOEHRINGER INGELHEIM KG (DE) 1993-08-19 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 (4 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-20090012055-A1 Organic compounds REN, ACE, ACE2 ALDH1A1 142/4885KDM4E 1843/4885NPC1 794/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 ALDH1A1 142/4885KDM4E 1843/4885NPC1 794/4885
US-20030130232-A1 Amidine derivatives, the preparation and use thereof as medicaments with LTB4 antagonistic effect LTB4R2, LTB4R, LTA4H ALDH1A1 2015/4885KDM4E 4234/4885NPC1 3145/4885
US-20030195216-A1 Octahydro-2H-pyrido[1,2-a] pyrazine compounds CYP2W1, OXER1, IL1R1 ALDH1A1 429/4885KDM4E 4530/4885NPC1 1693/4885

“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.