SCHEMBL484835

SCHEMBL484835

Cc1nc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2c(C)cccc2Cl)CC4)C3)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 2/20 0.39
WDR5 P61964 11/20 0.35
ACKR3 P25106 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
SPR P35270 1/20 0.33
RIPK1 Q13546 1/20 0.33
BDKRB1 P46663 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
KCNH2 Q12809 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
SCHEMBL484639 0.93 EPHX2 (0.37) DDR1ACKR3HTR1A
SCHEMBL485641 0.91 TAS1R3 (0.38) DDR1WDR5ACKR3TAS1R3TAS1R1
SCHEMBL485415 0.86 TAS1R3 (0.39) DDR1WDR5TAS1R3TAS1R1TAS1R2
SCHEMBL484418 0.85 CYP2C9 (0.40) DDR1BDKRB1
SCHEMBL2819264 0.85 GABRD (0.43) DDR1TAS1R3TAS1R1TAS1R2SPR
SCHEMBL484502 0.85 ACHE (0.42) DDR1ACKR3
SCHEMBL484765 0.85 CYP2D6 (0.43) DDR1TAS1R3TAS1R1TAS1R2SPR
SCHEMBL484332 0.84 BDKRB1 (0.38) DDR1ACKR3RIPK1BDKRB1
SCHEMBL484986 0.84 LMNA (0.39) DDR1ACKR3TAS1R3TAS1R1TAS1R2
SCHEMBL2817168 0.84 ALPI (0.40) DDR1WDR5ACKR3TAS1R3TAS1R1

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 DDR1 70/4885WDR5 1762/4885ACKR3 90/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN DDR1 70/4885WDR5 1762/4885ACKR3 90/4885

“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.