SCHEMBL1491089

SCHEMBL1491089

Nc1ccnn1-c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PTGS1 P23219 1/20 0.44
LMNA P02545 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
OXTR P30559 1/20 0.41
NR3C2 P08235 1/20 0.40
MAPK14 Q16539 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP17A1 P05093 2/20 0.39
CYP1A2 P05177 1/20 0.39

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 SCHEMBL11470266 0.98 POLB (0.62) POLBMEN1KMT2AKDM4EPTGS1
SCHEMBL15428758 0.82 POLB (0.57) POLBMEN1KMT2AKDM4EPTGS1
SCHEMBL4951229 0.79 POLB (0.64) POLBMEN1KMT2AKDM4ELMNA
SCHEMBL1491115 0.79 POLB (0.64) POLBMEN1KMT2AKDM4ELMNA
SCHEMBL1247688 0.79 POLB (0.64) POLBMEN1KMT2AKDM4EPTGS1
SCHEMBL1491136 0.78 POLB (0.69) POLBMEN1KMT2AKDM4ELMNA
SCHEMBL433371 0.78 POLB (1.00) POLBMEN1KMT2AKDM4EPTGS1
SCHEMBL20687950 0.77 CYP17A1 (0.45) POLBMEN1KMT2AKDM4ELMNA
SCHEMBL544667 0.77 POLB (0.61) POLBKMT2ANPC1RAB9ANR3C2
SCHEMBL27475240 0.76 POLB (0.60) POLBKDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104936593-B Oxytocin receptor agonists for the treatment of CNS disorders 霍夫曼-拉罗奇有限公司 2018-05-18 CN disclosed
EP-2945624-B1 OXYTOCIN RECEPTOR AGONISTS FOR THE TREATMENT OF CNS DISEASES HOFFMANN LA ROCHE (CH) 2018-04-18 EP disclosed
CN-107406451-A Pyrrolopyrimidines and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors 福马治疗股份有限公司 2017-11-28 CN disclosed
US-9751870-B2 Oxytocin receptor agonists for the treatment of CNS diseases HOFFMAN-LA ROCHE INC. (US) 2017-09-05 US disclosed
EP-3030560-B1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2017-06-21 EP disclosed
US-9663473-B2 Benzimidazolyl-methyl urea derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-05-30 US disclosed
US-20160200686-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2016-07-14 US disclosed
CN-105473575-A Benzimidazolyl-methylurea derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD 2016-04-06 CN disclosed
EP-2945624-A1 OXYTOCIN RECEPTOR AGONISTS FOR THE TREATMENT OF CNS DISEASES F. Hoffmann-La Roche AG (CH) 2015-11-25 EP disclosed
US-20150322058-A1 Oxytocin receptor agonists for the treatment of CNS diseases HOFFMANN-LA ROCHE INC. (US) 2015-11-12 US disclosed
CN-104936593-A Oxytocin receptor agonists for the treatment of CNS disorders HOFFMANN LA ROCHE 2015-09-23 CN disclosed
WO-2014111356-A1 OXYTOCIN RECEPTOR AGONISTS FOR THE TREATMENT OF CNS DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2014-07-24 WO disclosed
CN-102056920-A Tetrazole compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2011-05-11 CN disclosed
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US disclosed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP disclosed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 WO disclosed
CN-101374810-A Modulators of alpha7 nicotinic acetylcholine receptors and therapeutic uses thereof SIENA BIOTECH SPA (IT) 2009-02-25 CN disclosed
CN-101103023-A Disubstituted ureas as kinase inhibitors NOVARTIS AG (CH) 2008-01-09 CN 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-20150322058-A1 Oxytocin receptor agonists for the treatment of CNS diseases OXTR, CRHR1, AVPR2 POLB 3009/4885MEN1 2993/4885KMT2A 1772/4885
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R POLB 4782/4885MEN1 683/4885KMT2A 1510/4885
US-20160200686-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS UTS2R, ADORA3, P2RX7 POLB 4087/4885MEN1 3719/4885KMT2A 2077/4885

“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.