SCHEMBL3858428

SCHEMBL3858428

Cn1c2c(c3ccccc31)CCN1CCCC21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.52
SLC6A4 P31645 1/20 0.48
CHRNA7 P36544 1/20 0.44
PDE1A P54750 2/20 0.42
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA1A P35348 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
SCHEMBL3857346 0.96 MCHR1 (0.52) MCHR1SLC6A4CHRNA7PDE1ACYP3A4
SCHEMBL3857871 0.82 SLC6A4 (0.46) MCHR1SLC6A4PDE1ACYP3A4CYP1A2
SCHEMBL94417 0.81 MCHR1 (0.51) MCHR1CHRNA7NR1I2
SCHEMBL3859870 0.80 SLC6A4 (0.57) MCHR1SLC6A4PDE1ACYP3A4CYP1A2
Mimbane SCHEMBL488924 0.79 SLC6A4 (0.48) MCHR1SLC6A4CYP3A4CYP1A2CYP2D6
SCHEMBL19161100 0.79 MCHR1 (0.41) MCHR1CHRNA7PDE1ACYP3A4CYP1A2
Mimbane SCHEMBL29658183 0.78 SLC6A4 (0.47) MCHR1SLC6A4CYP1A2CYP2D6ADRA1A
SCHEMBL10577890 0.78 SLC6A4 (0.43) MCHR1SLC6A4PDE1ACYP3A4CYP1A2
SCHEMBL10577899 0.78 SLC6A4 (0.43) MCHR1SLC6A4PDE1ACYP3A4CYP1A2
SCHEMBL10577896 0.78 SLC6A4 (0.43) MCHR1SLC6A4PDE1ACYP3A4CYP1A2

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 7 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
US-3943148-A Indole fused heterocyclic diuretic compounds AMERICAN HOME PRODUCTS CORPORATION (US) 1976-03-09 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 MCHR1 285/4885SLC6A4 1189/4885CHRNA7 75/4885
US-20070293527-A9 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ADRB2, ADRA2A, ADRB1 MCHR1 285/4885SLC6A4 1189/4885CHRNA7 75/4885

“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.