SCHEMBL14967799

SCHEMBL14967799

COCCN1C2CCC1CC(O)C2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
CYP2C9 P11712 1/20 0.50
GBA1 P04062 2/20 0.42
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
SMYD3 Q9H7B4 2/20 0.35
HTR4 Q13639 1/20 0.32
SLC6A3 Q01959 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
HSD11B1 P28845 1/20 0.31
GAA P10253 2/20 0.31
MGAM O43451 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL23588848 0.92 LMNA (0.43) LMNACYP2C9GBA1CHRM2CHRM1
SCHEMBL20698374 0.89 LMNA (0.47) LMNACYP2C9GBA1CHRM2CHRM1
SCHEMBL14968313 0.83 LMNA (0.36) LMNACYP2C9GBA1SMYD3GAA
SCHEMBL96271 0.83 GBA1 (0.41) GBA1CHRM2CHRM1CHRM3SMYD3
SCHEMBL26157412 0.82 GBA1 (0.36) GBA1SMYD3HTR4DRD2DRD4
SCHEMBL8183912 0.80 GBA1 (0.35) GBA1SMYD3DRD2DRD4DRD3
SCHEMBL23588763 0.80 DRD2 (0.37) LMNAGBA1SLC6A3DRD2DRD4
SCHEMBL14967796 0.80 GBA1 (0.35) GBA1SMYD3HTR4DRD2DRD4
SCHEMBL7799387 0.80 GBA1 (0.35) GBA1SMYD3DRD2DRD4DRD3
SCHEMBL96400 0.79 ALDH1A1 (0.39) LMNACYP2C9GBA1CHRM2CHRM1

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
WO-2021129820-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND 微境生物医药科技(上海)有限公司 2021-07-01 WO disclosed
EP-2780026-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-9328138-B2 HCV NS3 protease inhibitors MSD ITALIA S.R.L. (IT) 2016-05-03 US disclosed
US-20140296136-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2014-10-02 US disclosed
EP-2780026-A2 HCV NS3 PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-09-24 EP disclosed
WO-2013074386-A2 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-23 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 (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-20140296136-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC LMNA 3730/4885CYP2C9 374/4885GBA1 1203/4885

“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.