SCHEMBL2815768

SCHEMBL2815768

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(CCc5ccccc5)CC4)CC3)cc21)c1cc(Cl)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.46
DRD2 P14416 9/20 0.46
HTR2A P28223 9/20 0.46
HTR1A P08908 8/20 0.46
CHRM2 P08172 2/20 0.43
CHRM3 P20309 2/20 0.43
CYP2D6 P10635 2/20 0.43
MAPK1 P28482 1/20 0.43
CCR8 P51685 1/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
TSHR P16473 1/20 0.39
USP2 O75604 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL484541 0.87 TAS1R3 (0.44) KCNH2DRD2HTR2AHTR1ACHRM2
SCHEMBL484783 0.86 CHRM2 (0.45) KCNH2DRD2HTR2AHTR1ACHRM2
SCHEMBL485046 0.86 CYP3A4 (0.52) KCNH2CHRM2CHRM3CYP2D6MAPK1
SCHEMBL484362 0.85 USP2 (0.46) KCNH2DRD2HTR2AHTR1ACHRM2
SCHEMBL484351 0.85 DRD2 (0.41) KCNH2DRD2HTR2AHTR1AHTR2B
SCHEMBL485106 0.85 CYP2D6 (0.49) CYP2D6MAPK1TSHRUSP2
SCHEMBL485228 0.85 CYP2D6 (0.40) KCNH2DRD2HTR2AHTR1ACYP2D6
SCHEMBL484580 0.85 HTR1A (0.43) KCNH2HTR1ACHRM2CHRM3CYP2D6
SCHEMBL2818242 0.84 CYP3A4 (0.49) KCNH2CHRM2CHRM3CYP2D6MAPK1
SCHEMBL2819332 0.84 GABRD (0.41)

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 6 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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 KCNH2 257/4885DRD2 520/4885HTR2A 1059/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN KCNH2 257/4885DRD2 520/4885HTR2A 1059/4885

“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.