SCHEMBL19686695

SCHEMBL19686695

CC(=O)N1CCC(Oc2cc(NC3CCC(F)(F)CC3)nc(-c3nc(C)cs3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
IDH1 O75874 8/20 0.40
EPHX2 P34913 1/20 0.39
GRM5 P41594 1/20 0.34
PDE10A Q9Y233 2/20 0.34
IDH2 P48735 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
SYK P43405 1/20 0.33
SLC5A7 Q9GZV3 1/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL19687119 0.89 IDH1 (0.37) RAB9AIDH1IDH2HRH3P2RX3
SCHEMBL31127227 0.89 IDH1 (0.46) IDH1IDH2
SCHEMBL19687426 0.89 IDH1 (0.46) IDH1IDH2
SCHEMBL31127156 0.86 IDH1 (0.38) RAB9AIDH1GRM5IDH2HRH3
SCHEMBL19687400 0.86 IDH1 (0.38) RAB9AIDH1GRM5IDH2HRH3
SCHEMBL21165836 0.86 IDH1 (0.39) IDH1GRM5IDH2HRH3ACACB
SCHEMBL19686869 0.85 IDH1 (0.41) IDH1GRM5IDH2
SCHEMBL19686399 0.85 IDH1 (0.37) RAB9AIDH1GRM5IDH2ACACB
SCHEMBL19687022 0.84 IDH1 (0.41) RAB9AIDH1EPHX2IDH2
SCHEMBL19686691 0.84 IDH1 (0.41) IDH1IDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 RAB9A 1362/4885IDH1 3017/4885EPHX2 4064/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 RAB9A 1362/4885IDH1 3017/4885EPHX2 4064/4885

“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.