SCHEMBL17099417

SCHEMBL17099417

CC1CCN(Cc2cnc(-c3ccccc3)s2)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.51
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
ACHE P22303 2/20 0.46
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ACKR3 P25106 1/20 0.42
POLB P06746 1/20 0.41
OGA O60502 3/20 0.41
HTT P42858 1/20 0.41
HDAC1 Q13547 1/20 0.41
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL12790145 0.86 LMNA (0.53) LMNAALDH1A1SMN1; SMN2MAPK1CYP11B1
SCHEMBL12790148 0.86 LMNA (0.53) LMNAALDH1A1SMN1; SMN2MAPK1CYP11B1
SCHEMBL11433164 0.79 ALDH1A1 (0.57) LMNAALDH1A1SMN1; SMN2MAPK1CYP11B1
SCHEMBL11393201 0.78 HDAC1 (0.58) LMNAALDH1A1SMN1; SMN2MAPK1CYP11B1
SCHEMBL11388939 0.77 SMN1; SMN2 (0.56) LMNAALDH1A1SMN1; SMN2MAPK1CYP11B1
SCHEMBL12420839 0.76 ALDH1A1 (0.54) LMNAALDH1A1SMN1; SMN2MAPK1CYP11B1
SCHEMBL13940677 0.75 ALDH1A1 (0.53) LMNAALDH1A1SMN1; SMN2MAPK1CYP11B1
SCHEMBL25625991 0.75 ALDH1A1 (0.56) LMNAALDH1A1SMN1; SMN2ACKR3OGA
SCHEMBL359069 0.74 ACHE (0.79) ALDH1A1ACHE
SCHEMBL358435 0.74 ACHE (0.79) ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 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 (1 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-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A LMNA 968/4885ALDH1A1 3556/4885SMN1; SMN2 393/4885

“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.