SCHEMBL3896013

SCHEMBL3896013

Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)CO)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRB2 P47870 5/20 0.80
▸ GABRA1 P14867 4/20 0.80
▸ ALB P02768 2/20 0.80
▸ OPRK1 P41145 2/20 0.80
▸ KCNH2 Q12809 2/20 0.80
▸ GABRA2 P47869 2/20 0.80
▸ KDM4E B2RXH2 1/20 0.80
▸ LMNA P02545 1/20 0.80
▸ CYP3A4 P08684 1/20 0.80
▸ CHRM1 P11229 1/20 0.80
▸ HPGD P15428 1/20 0.80
▸ GABRB1 P18505 1/20 0.80
▸ GABRG2 P18507 1/20 0.80
▸ GABRB3 P28472 1/20 0.80
▸ GABRA3 P34903 1/20 0.80
▸ ADRA1A P35348 1/20 0.80
▸ HTR2B P41595 1/20 0.80
▸ HSD17B10 Q99714 1/20 0.80
▸ TSPO P30536 2/20 0.54
▸ NR1I2 O75469 1/20 0.54

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
SCHEMBL2309142 0.92 GABRB2 (0.78) GABRB2GABRA1ALBOPRK1KCNH2
Zolpidem SCHEMBL80516 0.89 GABRB2 (1.00) GABRB2GABRA1ALBOPRK1KCNH2
Zolpidem SCHEMBL5606185 0.89 GABRB2 (1.00) GABRB2GABRA1ALBOPRK1KCNH2
Zolpidem SCHEMBL28035123 0.88 GABRB2 (0.97) GABRB2GABRA1ALBOPRK1KCNH2
Zolpidem SCHEMBL28577249 0.88 GABRB2 (0.97) GABRB2GABRA1ALBOPRK1KCNH2
Zolpidem SCHEMBL15169819 0.88 GABRB2 (0.97) GABRB2GABRA1ALBOPRK1KCNH2
Zolpidem SCHEMBL2064875 0.88 GABRB2 (0.97) GABRB2GABRA1ALBOPRK1KCNH2
Zolpidem SCHEMBL2065026 0.88 GABRB2 (0.97) GABRB2GABRA1ALBOPRK1KCNH2
Zolpidem SCHEMBL5766080 0.88 GABRB2 (0.97) GABRB2GABRA1ALBOPRK1KCNH2
Zolpidem SCHEMBL2064510 0.87 GABRB2 (0.91) GABRB2GABRA1ALBOPRK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809627-B1 SYNTHESIS OF HETEROARYL ACETAMIDES FROM REACTION MIXTURES HAVING REDUCED WATER CONTENT MALLINCKRODT INC (US) 2009-12-09 — — EP claimed
EP-1809627-B1 SYNTHESIS OF HETEROARYL ACETAMIDES FROM REACTION MIXTURES HAVING REDUCED WATER CONTENT MALLINCKRODT INC (US) 2009-12-09 — — EP disclosed
US-7498439-B2 Synthesis of heteroaryl acetamides from reaction mixtures having reduced water content MALLINCKRODT INC. (US) 2009-03-03 — — US disclosed
EP-1575952-B1 SYNTHESIS OF HETEROARYL ACETAMIDES MALLINCKRODT INC (US) 2009-02-18 — — EP disclosed
US-7385056-B2 Synthesis of heteroaryl acetamides MALLINCKRODT INC. (US) 2008-06-10 — — US disclosed
US-20070213537-A1 Synthesis Of Heteroaryl Acetamides From Reaction Mixtures Having Reduced Water Content MALLINCKRODT INC. 2007-09-13 — — US disclosed
EP-1809627-A1 SYNTHESIS OF HETEROARYL ACETAMIDES FROM REACTION MIXTURES HAVING REDUCED WATER CONTENT MALLINCKRODT, INC. (US) 2007-07-25 — — EP disclosed
US-20060025588-A1 Synthesis of heteroaryl acetamides MALLINCKRODT INC. 2006-02-02 — — US disclosed
WO-2006007289-A1 SYNTHESIS OF HETEROARYL ACETAMIDES FROM REACTION MIXTURES HAVING REDUCED WATER CONTENT MALLINCKRODT INC. (US) 2006-01-19 — — WO disclosed
WO-2006007289-A1 SYNTHESIS OF HETEROARYL ACETAMIDES FROM REACTION MIXTURES HAVING REDUCED WATER CONTENT MALLINCKRODT INC. (US) 2006-01-19 — — WO disclosed
EP-1575952-A1 SYNTHESIS OF HETEROARYL ACETAMIDES MALLINCKRODT INC. (US) 2005-09-21 — — EP disclosed
WO-2004058758-A1 SYNTHESIS OF HETEROARYL ACETAMIDES MALLINCKRODT INC. (US) 2004-07-15 — — 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 (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-20060025588-A1 Synthesis of heteroaryl acetamides HTR2A, SQSTM1, CYP2A6 GABRB2 245/4885GABRA1 76/4885ALB 2082/4885
US-20070213537-A1 Synthesis Of Heteroaryl Acetamides From Reaction Mixtures Having Reduced Water Content SQSTM1, CYP3A43, HTR2A GABRB2 869/4885GABRA1 229/4885ALB 2002/4885

“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.

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