SCHEMBL12983182

SCHEMBL12983182

COCCCN(Cc1ccc(F)cc1)c1nccc(C)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 3/20 0.47
▸ AGTR2 P50052 3/20 0.47
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ LTA4H P09960 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C8 P10632 1/20 0.35
▸ CYP2B6 P20813 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HDAC6 Q9UBN7 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
SCHEMBL12983805 0.94 AGTR1 (0.48) AGTR1AGTR2CNR1CNR2CYP1A2
SCHEMBL12983447 0.78 AGTR1 (0.42) AGTR1AGTR2CNR1CNR2KDM5A
SCHEMBL12983202 0.78 MAPK1 (0.36) AGTR1AGTR2ALDH1A1SMN1; SMN2HDAC1
SCHEMBL12983459 0.73 PIK3CD (0.39) AGTR1AGTR2HDAC1HDAC6
SCHEMBL1505151 0.65 GRM4 (0.40) CNR1CNR2KDM5AKDM5BKDM4E
SCHEMBL17611245 0.64 NAPRT (0.46) CNR1CNR2L3MBTL1KDM5AKDM4C
SCHEMBL1721511 0.64 SMN1; SMN2 (0.40) CNR1CNR2CYP1A2L3MBTL1KDM5A
SCHEMBL6421103 0.62 MEN1 (0.46) ALDH1A1HDAC1LMNAHDAC6
SCHEMBL21798423 0.61 LMNA (0.41) LTA4HL3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL21798421 0.61 LMNA (0.41) LTA4HL3MBTL1ALDH1A1KDM4ESMN1; SMN2

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 5 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
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-10-11 — — 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-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators KCNQ2, KCNQ1, KCNQ3 AGTR1 2368/4885AGTR2 1918/4885CNR1 661/4885
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 AGTR1 2368/4885AGTR2 1918/4885CNR1 661/4885

“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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