SCHEMBL2752136

SCHEMBL2752136

Cc1ccccc1CCNC(=O)c1cccnc1SCCCc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.46
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ HPGD P15428 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL2749850 0.88 HPGD (0.53) SLC6A5MEN1KMT2ANPC1RAB9A
SCHEMBL2750955 0.88 NPC1 (0.55) SLC6A5MEN1KMT2ANPC1RAB9A
SCHEMBL2750107 0.86 HSD11B1 (0.48) SLC6A5MEN1KMT2ANPC1RAB9A
SCHEMBL2750927 0.85 NAMPT (0.48) SLC6A5MEN1KMT2ANPC1RAB9A
SCHEMBL2751500 0.85 HTT (0.54) SLC6A5MEN1KMT2ANPC1RAB9A
SCHEMBL2750012 0.85 SMN1; SMN2 (0.55) SLC6A5MEN1KMT2ANPC1RAB9A
SCHEMBL2750125 0.84 KMT2A (0.52) SLC6A5MEN1KMT2ANPC1RAB9A
SCHEMBL2750280 0.84 KMT2A (0.46) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL2749874 0.84 CNR1 (0.47) SLC6A5NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL2749522 0.83 NPC1 (0.44) SLC6A5MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406226-B1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-09-16 — — EP claimed
US-8586755-B2 Substituted nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2013-11-19 — — US claimed
US-20120184550-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-07-19 — — US claimed
US-8178684-B2 Substituted nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2012-05-15 — — US claimed
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 — — US claimed
US-8586755-B2 Substituted nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2013-11-19 — — US disclosed
US-20120184550-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-07-19 — — US disclosed
US-8178684-B2 Substituted nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2012-05-15 — — US disclosed
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 — — 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-20120184550-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 SLC6A5 1821/4885MEN1 702/4885KMT2A 254/4885
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 SLC6A5 2678/4885MEN1 1398/4885KMT2A 422/4885

“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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