SCHEMBL2222790

SCHEMBL2222790

CCN(Cc1cccc(CN2CCN(c3nccc(C(C)C)c3C(=O)O)CC2)c1)Cc1c(F)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 3/20 0.36
SIGMAR1 Q99720 2/20 0.35
OPRM1 P35372 1/20 0.35
ACKR3 P25106 1/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
GPR6 P46095 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HTT P42858 1/20 0.34
AOC3 Q16853 1/20 0.34
LDHA P00338 1/20 0.34
L3MBTL1 Q9Y468 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
Water SCHEMBL2273702 0.94 ALDH1A1 (0.38) NPC1RAB9ATDP1ALDH1A1ALOX15
SCHEMBL2225709 0.90 KDM4E (0.42) TDP1ALDH1A1ALOX15KDM4ESIGMAR1
SCHEMBL14632732 0.89 ALDH1A1 (0.36) NPC1RAB9ATDP1ALDH1A1ALOX15
SCHEMBL2223101 0.89 MEN1 (0.36) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL2225850 0.88 ALDH1A1 (0.35) NPC1RAB9ATDP1ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL14632928 0.88 ALDH1A1 (0.35) NPC1RAB9ATDP1ALDH1A1ALOX15
SCHEMBL2224362 0.88 ALDH1A1 (0.37) NPC1RAB9ATDP1ALDH1A1ALOX15
SCHEMBL2224687 0.87 ALDH1A1 (0.38) NPC1RAB9ATDP1ALDH1A1ALOX15
SCHEMBL2226055 0.84 HTR3E (0.41) ALDH1A1KDM4ESIGMAR1OPRM1SMN1; SMN2
Hydrochloric Acid SCHEMBL2224855 0.83 HTR3E (0.40) ALDH1A1KDM4ESIGMAR1OPRM1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US claimed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US claimed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO claimed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 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-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B NPC1 670/4885RAB9A 1723/4885TDP1 4635/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 NPC1 620/4885RAB9A 2020/4885TDP1 4465/4885

“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.