SCHEMBL3859530

SCHEMBL3859530

Cn1c2c(c3ccccc31)CCN1CCC(CO)C21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.50
PDE1A P54750 3/20 0.48
PDE1B Q01064 1/20 0.48
PDE1C Q14123 1/20 0.48
HTR5A P47898 2/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
CYP3A4 P08684 2/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL3859870 0.81 SLC6A4 (0.57) SLC6A4PDE1APDE1BPDE1CALOX15
SCHEMBL3857871 0.78 SLC6A4 (0.46) SLC6A4PDE1APDE1BPDE1CALOX15
SCHEMBL10924309 0.77 PDE1A (0.44) SLC6A4PDE1APDE1BPDE1CALOX15
SCHEMBL10574202 0.77 PDE1A (0.44) SLC6A4PDE1APDE1BPDE1CALOX15
SCHEMBL10574194 0.77 PDE1A (0.44) SLC6A4PDE1APDE1BPDE1CALOX15
SCHEMBL6672112 0.76 SLC6A4 (0.44) SLC6A4PDE1APDE1BPDE1CHTR2A
SCHEMBL10577899 0.74 SLC6A4 (0.43) SLC6A4PDE1APDE1BPDE1CALOX15
SCHEMBL10577896 0.74 SLC6A4 (0.43) SLC6A4PDE1APDE1BPDE1CALOX15
SCHEMBL10577890 0.74 SLC6A4 (0.43) SLC6A4PDE1APDE1BPDE1CALOX15
SCHEMBL10689191 0.74 SLC6A4 (0.46) SLC6A4HTR5AHTR2AHTR2CALOX15

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-20070293527-A9 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ORION CORPORATION (FI) 2007-12-20 US claimed
US-20060094740-A1 Polycyclic compounds as potent alpha2-adrenoceptor antagonists DIN BELLE DAVID 2006-05-04 US claimed
US-7592350-B2 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ORION CORPORATION (FI) 2009-09-22 US disclosed
US-20070293527-A9 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ORION CORPORATION (FI) 2007-12-20 US disclosed
EP-1490361-B1 POLYCYCLIC COMPOUNDS AS POTENT ALPHA2-ADRENOCEPTOR ANTAGONISTS ORION CORP (FI) 2007-10-03 EP disclosed
US-20060094740-A1 Polycyclic compounds as potent alpha2-adrenoceptor antagonists DIN BELLE DAVID 2006-05-04 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-20060094740-A1 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ADRB2, ADRA2A, ADRB1 SLC6A4 1189/4885PDE1A 2093/4885PDE1B 1719/4885
US-20070293527-A9 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ADRB2, ADRA2A, ADRB1 SLC6A4 1189/4885PDE1A 2093/4885PDE1B 1719/4885

“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.