SCHEMBL16276265

SCHEMBL16276265

O=C(Cl)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ACE P12821 6/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PREP P48147 2/20 0.44
FKBP1A P62942 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
CYP3A4 P08684 1/20 0.42

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
SCHEMBL4842577 0.91 ACE (0.53) HTR2CSMN1; SMN2NPC1RAB9AACE
SCHEMBL4799717 0.91 ACE (0.53) HTR2CSMN1; SMN2NPC1RAB9AACE
SCHEMBL7339038 0.91 ACE (0.53) HTR2CSMN1; SMN2NPC1RAB9AACE
SCHEMBL4848858 0.91 ACE (0.53) HTR2CSMN1; SMN2NPC1RAB9AACE
SCHEMBL3843206 0.91 ACE (0.53) HTR2CSMN1; SMN2NPC1RAB9AACE
SCHEMBL7345709 0.89 SMN1; SMN2 (0.52) HTR2CSMN1; SMN2NPC1RAB9AACE
SCHEMBL19042 0.89 ACE (0.53) HTR2CSMN1; SMN2NPC1RAB9AACE
SCHEMBL9877388 0.88 FKBP1A (0.49) HTR2CSMN1; SMN2NPC1RAB9AACE
SCHEMBL9878033 0.88 FKBP1A (0.49) HTR2CSMN1; SMN2NPC1RAB9AACE
SCHEMBL4798767 0.87 FKBP1A (0.49) HTR2CSMN1; SMN2NPC1RAB9AACE

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
US-9382261-B2 Substituted quinazolinones as HCV inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-07-05 US disclosed
US-9382261-B2 Substituted quinazolinones as HCV inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-07-05 US disclosed
US-9126986-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2015-09-08 US disclosed
US-9126986-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2015-09-08 US disclosed
US-20140378485-A1 QUINAZOLINONE DERIVATIVES AS HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2014-12-25 US disclosed
US-20140378485-A1 QUINAZOLINONE DERIVATIVES AS HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2014-12-25 US disclosed
US-20140357626-A1 Hetero-Bicyclic Derivatives As HCV Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2014-12-04 US disclosed
US-20140357626-A1 Hetero-Bicyclic Derivatives As HCV Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2014-12-04 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 (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-20140357626-A1 Hetero-Bicyclic Derivatives As HCV Inhibitors HAVCR2, ZC3HAV1, SUB1 HTR2C 1888/4885SMN1; SMN2 4847/4885NPC1 225/4885
US-20140378485-A1 QUINAZOLINONE DERIVATIVES AS HCV INHIBITORS EIF2AK2, NQO2, IRF3 HTR2C 2602/4885SMN1; SMN2 4669/4885NPC1 778/4885

“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.