SCHEMBL484593

SCHEMBL484593

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc(F)c(F)c5)CC4)C3)cc21)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.40
GPR183 P32249 3/20 0.39
USP2 O75604 9/20 0.39
CYP3A4 P08684 9/20 0.39
MCHR2 Q969V1 1/20 0.39
CYP2D6 P10635 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 6/20 0.38
CYP2C9 P11712 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
ACKR3 P25106 1/20 0.37
CCR2 P41597 1/20 0.37

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
SCHEMBL2818766 0.96 USP2 (0.44) GPR183USP2CYP3A4MCHR2CYP2D6
SCHEMBL2818005 0.92 MRGPRX4 (0.42) MRGPRX4GPR183USP2CYP3A4CYP2D6
SCHEMBL484361 0.90 MRGPRX4 (0.40) MRGPRX4USP2CYP3A4MCHR2CYP2D6
SCHEMBL484910 0.90 USP2 (0.52) MRGPRX4GPR183USP2CYP3A4CYP2D6
SCHEMBL484764 0.90 CRHR1 (0.40) MRGPRX4USP2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL484919 0.90 CYP3A4 (0.40) MRGPRX4USP2CYP3A4CYP2D6TSHR
SCHEMBL484793 0.90 ACKR3 (0.42) USP2CYP3A4CYP2D6TSHRALDH1A1
SCHEMBL484520 0.89 CRHR1 (0.40) MRGPRX4USP2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL2818073 0.88 CYP3A4 (0.45) MRGPRX4USP2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL2819125 0.88 ACKR3 (0.40) GPR183USP2CYP3A4MCHR2CYP2D6

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 9 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
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 MRGPRX4 24/4885GPR183 326/4885USP2 4864/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN MRGPRX4 24/4885GPR183 326/4885USP2 4864/4885

“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.