SCHEMBL2132966

SCHEMBL2132966

Cc1nc(N2CCCCC2)ccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.49
▸ GABRD O14764 1/20 0.49
▸ GABRA1 P14867 1/20 0.49
▸ GABRB1 P18505 1/20 0.49
▸ GABRG2 P18507 1/20 0.49
▸ GABRB3 P28472 1/20 0.49
▸ GABRA5 P31644 1/20 0.49
▸ GABRA3 P34903 1/20 0.49
▸ GABRA2 P47869 1/20 0.49
▸ GABRB2 P47870 1/20 0.49
▸ GABRA4 P48169 1/20 0.49
▸ GABRE P78334 1/20 0.49
▸ GABRA6 Q16445 1/20 0.49
▸ GABRG1 Q8N1C3 1/20 0.49
▸ GABRG3 Q99928 1/20 0.49
▸ GABRQ Q9UN88 1/20 0.49
▸ POLB P06746 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 7/20 0.46
▸ HPGD P15428 2/20 0.46

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
SCHEMBL2130721 0.98 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5205003 0.87 PRKCQ (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5205369 0.86 PRKCA (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2130484 0.84 PKM (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17372216 0.79 PARP1 (0.43) POLBALDH1A1HPGDALOX12PARP1
SCHEMBL17371708 0.78 POLB (0.55) POLBALDH1A1HPGDPARP1KDM4E
SCHEMBL12984367 0.77 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14686891 0.76 ALDH1A1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12984777 0.76 GRIN2D (0.52) ALDH1A1
SCHEMBL12983811 0.75 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278103-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2016-03-08 — — US disclosed
US-9168259-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2015-10-27 — — US disclosed
US-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2014-07-31 — — US disclosed
US-8552200-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-10-08 — — US disclosed
EP-2630123-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-08-28 — — EP disclosed
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-10-11 — — US disclosed
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-04-26 — — US disclosed
WO-2012052167-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-04-26 — — 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 (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-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators KCNQ2, KCNQ1, KCNQ3 GABRP 735/4885GABRD 1711/4885GABRA1 659/4885
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 GABRP 735/4885GABRD 1711/4885GABRA1 659/4885
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 GABRP 735/4885GABRD 1711/4885GABRA1 659/4885

“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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