SCHEMBL2816489

SCHEMBL2816489

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc(F)cc5F)CC4)C3)cc21)c1cc(Cl)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.37
CFTR P13569 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 2/20 0.37
NAMPT P43490 2/20 0.36
CYP3A4 P08684 4/20 0.36
ALDH1A1 P00352 3/20 0.36
GPR183 P32249 2/20 0.36
CYP1A2 P05177 2/20 0.36
CCR8 P51685 2/20 0.36
KCNH2 Q12809 2/20 0.36
HPGD P15428 1/20 0.36
PDE10A Q9Y233 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.35
CXCR3 P49682 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
SCHEMBL485068 0.96 CYP2D6 (0.42) CYP2D6CFTRMAPK1KMT2ACYP3A4
SCHEMBL484790 0.91 CYP2D6 (0.40) CYP2D6MAPK1NAMPTCYP3A4ALDH1A1
SCHEMBL2819125 0.88 ACKR3 (0.40) CYP2D6MAPK1CYP3A4GPR183CYP1A2
SCHEMBL484520 0.88 CRHR1 (0.40) CYP2D6KMT2ACYP3A4ALDH1A1CYP1A2
SCHEMBL484741 0.86 CYP2D6 (0.42) CYP2D6MAPK1KMT2ACYP3A4ALDH1A1
SCHEMBL484943 0.86 CYP2D6 (0.45) CYP2D6MAPK1KMT2ACYP3A4ALDH1A1
SCHEMBL484351 0.86 DRD2 (0.41) KMT2AGPR183KCNH2MEN1
SCHEMBL484372 0.86 CYP3A4 (0.49) CYP2D6MAPK1KMT2ACYP3A4ALDH1A1
SCHEMBL484614 0.86 GPR183 (0.35) CYP2D6MAPK1KMT2ACYP3A4GPR183
SCHEMBL484286 0.85 CYP2D6 (0.41) CYP2D6MAPK1KMT2ACYP3A4ALDH1A1

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 CYP2D6 1926/4885CFTR 72/4885MAPK1 1001/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP2D6 1926/4885CFTR 72/4885MAPK1 1001/4885

“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.