SCHEMBL10078852

SCHEMBL10078852

CN1CCC(c2cccc(F)c2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.51
DRD3 P35462 3/20 0.51
SCD5 Q86SK9 2/20 0.48
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
HTR1A P08908 2/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR1E P28566 1/20 0.45
HTR7 P34969 1/20 0.45
HTR2B P41595 1/20 0.45
HTR3A P46098 1/20 0.45
HTR5A P47898 1/20 0.45
KCNH2 Q12809 1/20 0.44
DRD4 P21917 2/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43

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
SCHEMBL13416027 0.90 DRD3 (0.63) DRD2DRD3SLC6A2SLC6A4SLC6A3
SCHEMBL10078397 0.90 QDPR (0.53) DRD2HTR2AHTR2CSLC6A2SLC6A4
SCHEMBL2908786 0.83 DRD3 (0.51) DRD2DRD3HTR2AHTR2CSLC6A2
SCHEMBL1823938 0.82 SLC6A2 (0.41) DRD2DRD3HTR2AHTR2CSLC6A2
SCHEMBL15829965 0.81 DRD2 (0.60) DRD2DRD3HTR2AHTR2CSLC6A2
SCHEMBL21148630 0.81 DRD3 (0.54) DRD2DRD3HTR1ADRD4DRD1
SCHEMBL10209560 0.80 SCD5 (0.45) DRD2DRD3SCD5DRD4
SCHEMBL13416045 0.80 DRD2 (0.51) DRD2DRD3HTR2AHTR2CSLC6A2
SCHEMBL10057694 0.80 DRD3 (0.54) DRD2DRD3SCD5HTR1AHTR2B
SCHEMBL18742027 0.80 SCD5 (0.46) DRD2DRD3SCD5DRD4

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
US-20190002441-A1 6-HYDROXY-4-OXO-1,4-DIHYDROPYRIMIDINE-5-CARBOXAMIDES AS APJ AGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-01-03 US disclosed
US-8148404-B2 Modulators of CB1 receptors 7TM PHARMA A/S (DK) 2012-04-03 US disclosed
US-20100144701-A1 Modulators of CB1 Receptors 7TM PHARMA A/S (DK) 2010-06-10 US disclosed
US-20100076024-A1 Novel Compounds as Serine Protease Inhibitors ZIMMERMANN KASPAR 2010-03-25 US disclosed
US-20100076024-A1 Novel Compounds as Serine Protease Inhibitors ZIMMERMANN KASPAR 2010-03-25 US disclosed
WO-2008101953-A1 COMPOUNDS OF FORMULA (I) AS SERINE PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 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 (3 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-20190002441-A1 6-HYDROXY-4-OXO-1,4-DIHYDROPYRIMIDINE-5-CARBOXAMIDES AS APJ AGONISTS AP2A1, P2RX5, AP3M1 DRD2 1191/4885DRD3 2095/4885SCD5 513/4885
US-20100076024-A1 Novel Compounds as Serine Protease Inhibitors PRSS1, SERPINB1, SPINT2 DRD2 4641/4885DRD3 4316/4885SCD5 725/4885
US-20100144701-A1 Modulators of CB1 Receptors CNR1, CNR2, GPR6 DRD2 415/4885DRD3 301/4885SCD5 1489/4885

“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.