SCHEMBL12401189

SCHEMBL12401189

c1cc2c(c3c1CNC3)OCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
DRD2 P14416 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
NQO2 P16083 1/20 0.35
TSHR P16473 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C19 P33261 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
XBP1 P17861 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
Hydrochloric Acid SCHEMBL23887008 0.98 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL30370507 0.98 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12401191 0.85 ADRB1 (0.37) KDM4ELMNAALDH1A1OXTRHSD17B10
SCHEMBL3872994 0.84 PNMT (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12401182 0.81 HTR2A (0.32) OXTR
SCHEMBL232442 0.74 HTR2C (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8410159 0.73 DRD2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17585073 0.69 CD274 (0.43) DRD2
Hydrochloric Acid SCHEMBL17583899 0.68 CD274 (0.42)
SCHEMBL11336504 0.68 CYP2D6 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4212528-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUND AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-07-19 EP disclosed
WO-2023078401-A1 COMPOUNDS AS PROTEIN KINASE INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-11 WO disclosed
EP-3153515-B1 COMPOUNDS FOR INHIBITING HEPATITIS C VIRUS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AB PHARMA LTD (CN) 2020-08-12 EP disclosed
EP-2528922-B1 POLYHETEROCYCLIC COMPOUNDS AS HCV INHIBITORS AB PHARMA LTD (CN) 2017-08-02 EP disclosed
EP-3153515-A1 COMPOUNDS FOR INHIBITING HEPATITIS C VIRUS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AB Pharma Ltd (CN) 2017-04-12 EP disclosed
US-8815796-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-08-26 US disclosed
US-8815796-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-08-26 US disclosed
US-8653025-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-02-18 US disclosed
US-8653025-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-02-18 US disclosed
WO-2011091757-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS AB Pharma Ltd. (CN) 2011-08-04 WO disclosed
US-20110183895-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS AB Pharma Ltd. (CN) 2011-07-28 US disclosed
US-20110183895-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS AB Pharma Ltd. (CN) 2011-07-28 US 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-20110183895-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS HAVCR2, ZC3HAV1, EIF2AK2 CHRNB2 4679/4885CHRNB4 4776/4885CHRNA3 4668/4885

“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.