SCHEMBL2491350

SCHEMBL2491350

c1ccc2c(c1)nnn2CN1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 1.00
SLC9A1 P19634 6/20 0.51
GRM2 Q14416 1/20 0.49
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDO2 P48775 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
GLA P06280 1/20 0.45
TSHR P16473 1/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
APAF1 O14727 1/20 0.45
TDP2 O95551 1/20 0.45
ALDH1A1 P00352 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL9137840 0.89 CYP2D6 (0.79) CYP2D6SLC9A1GRM2NPC1MAPT
SCHEMBL4340679 0.85 CYP2D6 (0.74) CYP2D6SLC9A1GRM2NPC1MAPT
SCHEMBL10625061 0.84 CYP2D6 (0.72) CYP2D6SLC9A1GRM2NPC1MAPT
SCHEMBL11208551 0.81 CYP2D6 (0.68) CYP2D6SLC9A1GRM2NPC1MAPT
SCHEMBL31234269 0.79 SLC9A1 (0.70) CYP2D6SLC9A1GRM2NPC1MAPT
SCHEMBL1774497 0.79 SLC9A1 (0.70) CYP2D6SLC9A1GRM2NPC1MAPT
SCHEMBL11536847 0.79 CYP2D6 (0.65) CYP2D6SLC9A1GRM2NPC1MAPT
SCHEMBL242196 0.76 CYP2D6 (0.60) CYP2D6SLC9A1NPC1MAPTLMNA
SCHEMBL8645936 0.74 POLB (0.58) CYP2D6SLC9A1NPC1MAPTLMNA
SCHEMBL29479909 0.73 SLC9A1 (0.67) CYP2D6SLC9A1GRM2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2014797-A2 Coating composition for interconnection part of electrode and plasma display panel including the same Samsung SDI Co., Ltd. (KR) 2009-01-14 EP claimed
US-20080303439-A1 Coating composition for interconnection part of electrode and plasma display panel including the same SAMSUNG SDI CO., LTD., A CORP. OF THE REPUBLIC OF KOREA (KR) 2008-12-11 US claimed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
CN-101835764-B Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC 2012-09-19 CN disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
CN-101835764-A Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC 2010-09-15 CN disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed
US-7306894-B2 Polymerizable composition, photopolymerizing method and process for producing lithographic printing plate using the polymerizable composition FUJIFILM CORPORATION (JP) 2007-12-11 US disclosed
US-7306894-B2 Polymerizable composition, photopolymerizing method and process for producing lithographic printing plate using the polymerizable composition FUJIFILM CORPORATION (JP) 2007-12-11 US disclosed
US-20050282387-A1 Metal polish composition, polishing method using the composition and method for producing wafer using the polishing method SHOWA DENKO K.K. (JP) 2005-12-22 US disclosed
EP-0395185-A1 Curing catalyst for application in powder coatings DSM N.V. (NL) 1990-10-31 EP disclosed
EP-0205398-B1 ADDITIVE FOR FUNCTIONAL FLUIDS CIBA-GEIGY AG (CH) 1989-11-08 EP disclosed
US-4791206-A METAL PASSIVATING, OXIDATION RESISTANCE CIBA-GEIGY CORPORATION (US) 1988-12-13 US disclosed
EP-0044277-B1 PRINTING INK AND ITS USE IN THE MANUFACTURE OF TEXTURED, FOAMED RESINOUS MATERIALS CIBA-GEIGY AG (CH) 1985-08-28 EP disclosed
US-4407882-A FOAMING INHIBITOR CIBA-GEIGY CORPORATION (US) 1983-10-04 US disclosed
EP-0044277-A2 Printing ink and its use in the manufacture of textured, foamed resinous materials CIBA-GEIGY AG (CH) 1982-01-20 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 (1 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 CYP2D6 4646/4885SLC9A1 1854/4885GRM2 2555/4885

“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.