SCHEMBL326944

SCHEMBL326944

N#Cc1cccc2c1CCN2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
PNMT P11086 1/20 0.39
KDM1A O60341 2/20 0.39
PARP1 P09874 1/20 0.39
NISCH Q9Y2I1 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
TSHR P16473 1/20 0.34
MCL1 Q07820 1/20 0.34
HTT P42858 1/20 0.34

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 SCHEMBL15311720 0.98 NOTUM (0.40) NOTUMPNMTKDM1APARP1NISCH
SCHEMBL20571510 0.89 KDM1A (0.41) NOTUMPNMTKDM1ANISCHTSHR
SCHEMBL30479618 0.89 KDM1A (0.41) NOTUMPNMTKDM1ANISCHTSHR
Hydrochloric Acid SCHEMBL31477155 0.87 KDM1A (0.41) NOTUMPNMTKDM1ANISCHTSHR
SCHEMBL28228556 0.82 NOTUM (0.40) NOTUMKDM1APARP1HTT
SCHEMBL5754293 0.80 PNMT (0.55) NOTUMPNMTKDM1APARP1NISCH
SCHEMBL27880380 0.76 PNMT (0.39) PNMTNISCHHTR2CHTR2BTSHR
SCHEMBL31477384 0.76 PNMT (0.39) PNMTNISCHHTR2CHTR2BTSHR
SCHEMBL175017 0.75 GAA (0.56) TSHR
SCHEMBL26923247 0.74 PARP1 (0.38) NOTUMKDM1APARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311874-A The bicyclic heterocyclic compounds being substituted 百时美施贵宝公司 2019-02-05 CN claimed
WO-2024084394-A1 COMPOSITIONS AND METHODS FOR DELIVERING A MACROMOLECULE TO A CELL ASTRAZENECA AB (SE) 2024-04-25 WO disclosed
CN-117886810-A Indoline compound and preparation method and application thereof 徐州医科大学 2024-04-16 CN disclosed
CN-109843289-B Diaryl sulfur group compound for resisting candida albicans, preparation and application thereof 华南农业大学 2021-10-29 CN disclosed
CN-109843289-A A kind of diaryl chalcogenide of anti-candida albicans and its preparation and application 华南农业大学 2019-06-04 CN disclosed
EP-2658844-B1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI SA (FR) 2016-10-26 EP disclosed
EP-2590942-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-04 EP disclosed
EP-2590942-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-04 EP disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
CN-101119968-A Heterocyclically substituted phenyl methanone derivatives as glycine transporter 1 inhibitors HOFFMANN LA ROCHE (CH) 2008-02-06 CN disclosed
EP-1848694-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F. Hoffmann-Roche AG (CH) 2007-10-31 EP disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 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 (2 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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 NOTUM 2424/4885PNMT 1672/4885KDM1A 1782/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 NOTUM 2424/4885PNMT 1672/4885KDM1A 1782/4885

“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.