SCHEMBL485312

SCHEMBL485312

Fc1ccc(N2CCC3(CCNC3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.56
SLC6A4 P31645 3/20 0.56
SLC6A3 Q01959 3/20 0.56
USP2 O75604 7/20 0.56
CYP2D6 P10635 7/20 0.56
ALDH1A1 P00352 7/20 0.48
CYP1A2 P05177 5/20 0.48
CYP3A4 P08684 5/20 0.48
TP53 P04637 5/20 0.47
MAPK1 P28482 5/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CYP2C19 P33261 3/20 0.47
KDM4E B2RXH2 1/20 0.45
CYP11B1 P15538 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL20455740 0.90 CYP2D6 (0.60) SLC6A2SLC6A4SLC6A3USP2CYP2D6
SCHEMBL13050532 0.90 CYP2D6 (0.69) SLC6A2SLC6A4SLC6A3USP2CYP2D6
SCHEMBL15235472 0.83 ADRB1 (0.58) SLC6A2SLC6A4SLC6A3USP2CYP2D6
SCHEMBL31142628 0.83 CYP2D6 (0.56) SLC6A2SLC6A4SLC6A3USP2CYP2D6
SCHEMBL2818789 0.83 HTR3E (0.58) SLC6A2SLC6A4SLC6A3USP2CYP2D6
SCHEMBL485117 0.83 CYP2D6 (0.51) SLC6A2SLC6A4SLC6A3USP2CYP2D6
SCHEMBL2819190 0.81 USP2 (0.53) SLC6A2SLC6A4SLC6A3USP2CYP2D6
SCHEMBL3082414 0.80 CYP2D6 (0.59) SLC6A2SLC6A4SLC6A3USP2CYP2D6
SCHEMBL485421 0.80 ADRB1 (0.61) SLC6A2SLC6A4SLC6A3USP2CYP2D6
Hydrochloric Acid SCHEMBL18789104 0.79 CYP2D6 (0.57) SLC6A2SLC6A4SLC6A3USP2CYP2D6

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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 (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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN SLC6A2 3182/4885SLC6A4 3132/4885SLC6A3 2363/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN SLC6A2 3182/4885SLC6A4 3132/4885SLC6A3 2363/4885

“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.