SCHEMBL484332

SCHEMBL484332

Cc1cccc(Cl)c1C(=O)NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc6nccnc6c5)CC4)C3)cc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.38
ACKR3 P25106 1/20 0.38
KMT2A Q03164 1/20 0.38
CCR3 P51677 2/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RIPK1 Q13546 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM3 P20309 2/20 0.36
OGA O60502 1/20 0.36
MCHR1 Q99705 2/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
DDR1 Q08345 1/20 0.35

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
SCHEMBL485515 0.94 CCR3 (0.44) BDKRB1ACKR3CCR3MCHR1ALDH1A1
SCHEMBL484843 0.92 CYP2D6 (0.41) BDKRB1ACKR3CCR3CYP3A4CYP2D6
SCHEMBL485317 0.89 ACKR3 (0.39) BDKRB1ACKR3CCR3CYP3A4CYP2D6
SCHEMBL485010 0.89 HSD11B1 (0.37) BDKRB1ACKR3CHRM2CHRM3MCHR1
SCHEMBL484785 0.89 ACKR3 (0.40) BDKRB1ACKR3CCR3CYP3A4CYP2D6
SCHEMBL484493 0.88 CYP3A4 (0.48) KMT2ACYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL2818585 0.87 BDKRB1 (0.38) BDKRB1ACKR3CYP3A4CYP2D6CYP2C9
SCHEMBL484600 0.87 CYP3A4 (0.41) ACKR3KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL484545 0.86 CCR3 (0.42) ACKR3CCR3CYP3A4CYP2D6CYP2C9
SCHEMBL484418 0.85 CYP2C9 (0.40) BDKRB1KMT2ACYP3A4CYP2D6CYP2C9

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 8 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
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 BDKRB1 1/4885ACKR3 90/4885KMT2A 2136/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN BDKRB1 1/4885ACKR3 90/4885KMT2A 2136/4885

“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.