SCHEMBL19852540

SCHEMBL19852540

CC1(C)Oc2ccccc2C1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.44
KCNQ1 P51787 1/20 0.44
ABCB1 P08183 1/20 0.40
CYP2C9 P11712 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.35
ABCC9 O60706 1/20 0.35
EDNRA P25101 1/20 0.35

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
SCHEMBL6204083 0.84 KCNE1 (0.38) KCNE1KCNQ1ABCB1CYP2C9ATM
SCHEMBL7760656 0.83 KCNE1 (0.37) KCNE1KCNQ1ABCB1CYP2C9ATM
SCHEMBL19839249 0.81 ABCB1 (0.43) KCNE1KCNQ1ABCB1CYP2C9GAA
SCHEMBL28400315 0.80 HTT (0.40) KCNE1KCNQ1CYP2C9SMN1; SMN2GAA
SCHEMBL29272200 0.77 NPC1 (0.44) KCNE1KCNQ1CYP2C9SMN1; SMN2LMNA
SCHEMBL16291560 0.74 CYP3A4 (0.35) ABCB1CYP2C9ATMGAAPKM
SCHEMBL2818050 0.73 KCNE1 (0.49) KCNE1KCNQ1ABCB1ATMABCC9
SCHEMBL7156979 0.72 CRHBP (0.36) KCNE1KCNQ1ABCB1CYP2C9CRHBP
SCHEMBL5511497 0.72 KCNE1 (0.37) KCNE1KCNQ1ABCB1CYP2C9ATM
SCHEMBL21408674 0.72 KCNE1 (0.51) KCNE1KCNQ1ABCB1ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO disclosed
CN-107001362-A Heteroaryl compound as BTK inhibitor and application thereof 默克专利有限公司 2017-08-01 CN disclosed
CN-1871235-A Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UPJOHN CO (US) 2006-11-29 CN 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-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C KCNE1 299/4885KCNQ1 101/4885ABCB1 264/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C KCNE1 299/4885KCNQ1 101/4885ABCB1 264/4885

“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.