SCHEMBL3859870

SCHEMBL3859870

CCC1CCCN2CCc3c(n(C)c4ccccc34)C12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.57
PDE1A P54750 4/20 0.47
PDE1B Q01064 2/20 0.47
PDE1C Q14123 2/20 0.47
CYP3A4 P08684 4/20 0.43
LMNA P02545 3/20 0.43
CYP2D6 P10635 3/20 0.43
NR1I2 O75469 2/20 0.43
CYP1A2 P05177 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.41
MCHR1 Q99705 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HIF1A Q16665 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL14543932 0.86 PDE1A (0.44) SLC6A4PDE1APDE1BPDE1CCYP3A4
SCHEMBL3857871 0.82 SLC6A4 (0.46) SLC6A4PDE1APDE1BPDE1CCYP3A4
SCHEMBL3859530 0.81 SLC6A4 (0.50) SLC6A4PDE1APDE1BPDE1CCYP3A4
SCHEMBL3858428 0.80 MCHR1 (0.52) SLC6A4PDE1ACYP3A4LMNACYP2D6
SCHEMBL10577890 0.78 SLC6A4 (0.43) SLC6A4PDE1APDE1BPDE1CCYP3A4
SCHEMBL10577896 0.78 SLC6A4 (0.43) SLC6A4PDE1APDE1BPDE1CCYP3A4
SCHEMBL10577899 0.78 SLC6A4 (0.43) SLC6A4PDE1APDE1BPDE1CCYP3A4
SCHEMBL3867340 0.77 SLC6A4 (0.62) SLC6A4PDE1APDE1BPDE1CCYP3A4
SCHEMBL3857346 0.76 MCHR1 (0.52) SLC6A4PDE1ACYP3A4LMNACYP2D6
SCHEMBL10578278 0.75 SLC6A4 (0.41) SLC6A4PDE1APDE1BPDE1CCYP3A4

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.