SCHEMBL8277995

SCHEMBL8277995

COc1ccnc2c(C)cccc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.53
ADRA1D P25100 3/20 0.53
ADRA1A P35348 3/20 0.53
ADRA1B P35368 3/20 0.53
SLC40A1 Q9NP59 2/20 0.50
PSMD14 O00487 1/20 0.44
COPS5 Q92905 1/20 0.44
PLAU P00749 1/20 0.43
PARP1 P09874 1/20 0.42
PDPK1 O15530 1/20 0.42
DOT1L Q8TEK3 1/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41

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
SCHEMBL13036181 0.85 KMT2A (0.50) PSMD14COPS5CCR1CCR8
SCHEMBL14871760 0.81 HTR1A (0.53) HTR1AADRA1DADRA1AADRA1BSLC40A1
SCHEMBL7247375 0.80 NSD2 (0.54) HTR1AADRA1DADRA1AADRA1BSLC40A1
SCHEMBL28304013 0.80 SLC40A1 (0.49) HTR1AADRA1DADRA1AADRA1BSLC40A1
SCHEMBL1714045 0.80 KDM4E (0.54) HTR1AADRA1DADRA1AADRA1BSLC40A1
SCHEMBL6589147 0.80 NR4A2 (0.56) HTR1AADRA1DADRA1AADRA1BSLC40A1
SCHEMBL12042114 0.80 SLC40A1 (0.49) HTR1AADRA1DADRA1AADRA1BSLC40A1
SCHEMBL185654 0.80 CCR1 (0.50) HTR1AADRA1DADRA1AADRA1BSLC40A1
SCHEMBL8032037 0.79 CCR1 (0.69) HTR1AADRA1DADRA1AADRA1BSLC40A1
SCHEMBL1715009 0.79 SLC40A1 (0.48) HTR1AADRA1DADRA1AADRA1BSLC40A1

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-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
WO-2006007700-A1 HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 WO disclosed
US-4900751-A 2-Pyridinyl-phenyl-sulphinyl-and-phenyl-thio-benzimidazoles having antiflammatory or gastic acid secretion inhibition activity FISONS PLC (GB) 1990-02-13 US disclosed
US-4851419-A Certain 2-pyridinyl-phenylsulfinyl-benzoxazoles, the corresponding benzothiazoles or benzimidazoles having anti-inflammatory or gastric acid secretion inhibition activity FISONS PLC (GB) 1989-07-25 US disclosed
EP-0283504-A1 COMPOUNDS FISONS plc (GB) 1988-09-28 EP disclosed
WO-1988002367-A1 COMPOUNDS FISONS PLC (GB) 1988-04-07 WO disclosed
EP-0262845-A1 Heterocyclic substituted azole derivatives FISONS plc (GB) 1988-04-06 EP disclosed
EP-0220053-A2 Benzimidazoles, benzoxazoles, benzothiazoles and their production, formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1987-04-29 EP 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR HTR1A 3633/4885ADRA1D 3965/4885ADRA1A 3465/4885

“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.