SCHEMBL6136974

SCHEMBL6136974

NC(=O)C1(CO)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
BLM P54132 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
P2RX7 Q99572 1/20 0.33
MME P08473 2/20 0.31

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
SCHEMBL1516357 0.97 CYP2C19 (0.39) CYP2C19ALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL1515582 0.92
SCHEMBL1515270 0.87
SCHEMBL1231768 0.81 CYP2C19 (0.40) CYP2C19ALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL5132557 0.80 ALDH1A1 (0.45) CYP2C19ALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL11517742 0.79 CYP2C19 (0.46) CYP2C19ALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL3253959 0.78 CYP2C19 (0.41) CYP2C19ALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL4455482 0.78 CYP2C19 (0.46) CYP2C19ALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL15255148 0.78 CYP2C19 (0.41) CYP2C19ALDH1A1SMN1; SMN2TSHRLMNA
Hydrochloric Acid SCHEMBL6590723 0.78 ALDH1A1 (0.43) CYP2C19ALDH1A1SMN1; SMN2TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867227-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2018-11-21 EP claimed
EP-2928867-B1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2017-08-09 EP claimed
US-9556117-B2 Indole carboxamide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-01-31 US claimed
EP-2771327-B1 NOVEL PYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-11-16 EP claimed
EP-2935211-B1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-11-09 EP claimed
US-9487483-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2016-11-08 US claimed
US-9409866-B2 Pyridine-2-amides useful as CB2 agonists HOFFMANN-LA ROCHE INC. (US) 2016-08-09 US claimed
US-9403808-B2 Pyrazine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-08-02 US claimed
US-20150344429-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-12-03 US claimed
US-20150344425-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-03 US claimed
EP-2928867-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. Hoffmann-La Roche AG (CH) 2015-10-14 EP claimed
US-20150148349-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2015-05-28 US claimed
EP-2771327-A1 NOVEL PYRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-03 EP claimed
WO-2014086805-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO claimed
WO-2013060751-A1 NOVEL PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-02 WO claimed
US-20130109665-A1 NOVEL PYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US claimed
US-11746091-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2023-09-05 US disclosed
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2023-02-02 US disclosed
EP-1446115-A2 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-08-18 EP disclosed
WO-2003041649-A2 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-05-22 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 (6 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-20150344429-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS CNR2, CNR1, GPR52 CYP2C19 508/4885ALDH1A1 2019/4885SMN1; SMN2 4517/4885
US-20150148349-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF C5, C3AR1, C9 CYP2C19 197/4885ALDH1A1 2392/4885SMN1; SMN2 3448/4885
US-20150344425-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 CYP2C19 562/4885ALDH1A1 2019/4885SMN1; SMN2 4518/4885
US-11746091-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 CYP2C19 1441/4885ALDH1A1 3623/4885SMN1; SMN2 208/4885
US-20130109665-A1 NOVEL PYRAZINE DERIVATIVES CNR2, CNR1, GPR174 CYP2C19 544/4885ALDH1A1 2419/4885SMN1; SMN2 4222/4885
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain VIP, FABP2, FABP6 CYP2C19 1594/4885ALDH1A1 603/4885SMN1; SMN2 3930/4885

“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.