SCHEMBL17048646

SCHEMBL17048646

OC1CN(c2cc(OCc3ccccc3)cc(C(F)(F)F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.43
S1PR5 Q9H228 4/20 0.43
PDGFRA P16234 2/20 0.43
MRGPRX4 Q96LA9 3/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
NR4A2 P43354 2/20 0.41
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR2B P41595 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
SCHEMBL17048680 0.83 SIGMAR1 (0.45) MRGPRX4SPHK1RXRARXRBRXRG
SCHEMBL18882731 0.81 GRM5 (0.55) S1PR1S1PR5NPC1RAB9ASPHK1
SCHEMBL18580901 0.76 S1PR1 (0.55) S1PR1S1PR5PDGFRAMRGPRX4NR4A2
SCHEMBL5764984 0.74 NR4A2 (0.50) MRGPRX4SPHK1RXRARXRBRXRG
SCHEMBL31414462 0.74 MRGPRX4 (0.48) MRGPRX4NR4A2MEN1KMT2A
SCHEMBL17048558 0.74 MRGPRX4 (0.48) MRGPRX4NR4A2MEN1KMT2A
SCHEMBL21958646 0.73 GRM5 (0.51) MRGPRX4PSEN1PSEN2APH1BNCSTN
SCHEMBL4279566 0.73 MAOB (0.57) MRGPRX4RAB9ANR4A2MEN1KMT2A
SCHEMBL9228037 0.73 MAOB (0.57) MRGPRX4NR4A2MEN1KMT2A
SCHEMBL850085 0.72 MEN1 (0.72) MRGPRX4NR4A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236078-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2022-02-01 US disclosed
US-11236078-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2022-02-01 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
WO-2015130957-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals, Ltd. (US) 2015-09-03 WO disclosed
WO-2015130957-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals, Ltd. (US) 2015-09-03 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 (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-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S S1PR1 1406/4885S1PR5 2054/4885PDGFRA 2302/4885
US-11236078-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPM6, SCN1A S1PR1 1787/4885S1PR5 2547/4885PDGFRA 2544/4885

“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.