SCHEMBL12401182

SCHEMBL12401182

c1cc2c(c3c1CNC3)OCCCO2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
ADRB1 P08588 1/20 0.32
OXTR P30559 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
USP9X Q93008 1/20 0.31
CD274 Q9NZQ7 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
SCHEMBL12401191 0.93 ADRB1 (0.37) HTR2AHTR2CHTR2BADRB1OXTR
SCHEMBL12401189 0.81 CHRNB2 (0.42) OXTR
Hydrochloric Acid SCHEMBL23887008 0.80 CHRNB2 (0.41) OXTR
Hydrochloric Acid SCHEMBL30370507 0.80 CHRNB2 (0.41) OXTR
SCHEMBL17585073 0.77 CD274 (0.43) HTR2AHTR2CHTR2BADRB1CD274
Hydrochloric Acid SCHEMBL17583899 0.76 CD274 (0.42) HTR2AHTR2CHTR2BADRB1CD274
SCHEMBL12401228 0.70 SMN1; SMN2 (0.37) OXTRL3MBTL1CD274
SCHEMBL4701400 0.69 GRIA2 (0.35) ADRB1
SCHEMBL3872994 0.67 PNMT (0.46)
SCHEMBL22183626 0.63 MAOB (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528922-B1 POLYHETEROCYCLIC COMPOUNDS AS HCV INHIBITORS AB PHARMA LTD (CN) 2017-08-02 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 HTR2A 4312/4885HTR2C 3175/4885HTR2B 2997/4885

“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.