Sugi Predict

Sugi Predict / Compounds / SCHEMBL484614

SCHEMBL484614

SCHEMBL484614

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc[nH]5)CC4)C3)cc21)c1cc(Cl)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 4/20 0.35
▸ ACKR3 P25106 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ CYP2D6 P10635 3/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ ENPP2 Q13822 2/20 0.34
▸ ATXN2 Q99700 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CCR8 P51685 1/20 0.33
▸ SPR P35270 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL484837 0.96 CYP2D6 (0.39) GPR183ACKR3CYP2D6MAPK1CHRM2
SCHEMBL2819125 0.87 ACKR3 (0.40) GPR183ACKR3CYP2D6MAPK1CHRM2
SCHEMBL2816489 0.86 CYP2D6 (0.37) GPR183CYP2D6MAPK1KCNH2CYP1A2
SCHEMBL2817576 0.85 NAMPT (0.45) GPR183EPHX2ENPP2ATXN2SPR
SCHEMBL484276 0.85 TAS1R3 (0.42) ACKR3CYP2D6MAPK1CHRM2CHRM3
SCHEMBL484372 0.84 CYP3A4 (0.49) CYP2D6MAPK1CYP1A2CYP3A4HPGD
SCHEMBL485333 0.84 CYP2D6 (0.42) ACKR3EPHX2CYP2D6MAPK1CHRM2
SCHEMBL484589 0.84 CYP3A4 (0.45) ACKR3CYP2D6MAPK1CHRM2CHRM3
SCHEMBL484811 0.83 ACKR3 (0.38) ACKR3CYP2D6MAPK1CHRM2CHRM3
SCHEMBL2816342 0.83 MCHR1 (0.44) KCNH2CCR8MCHR1

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 10 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 claimed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US claimed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 — — EP claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US claimed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 — — WO claimed
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
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
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 GPR183 326/4885ACKR3 90/4885EPHX2 905/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN GPR183 326/4885ACKR3 90/4885EPHX2 905/4885

“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.