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SCHEMBL485333

SCHEMBL485333

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc[nH]5)CC4)CC3)cc21)c1c(F)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 6/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ CYP3A4 P08684 4/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ USP2 O75604 2/20 0.39
▸ TSHR P16473 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CHRM2 P08172 2/20 0.37
▸ CHRM3 P20309 2/20 0.37
▸ ACKR3 P25106 1/20 0.36
▸ TAS1R3 Q7RTX0 2/20 0.35
▸ TAS1R1 Q7RTX1 2/20 0.35
▸ TAS1R2 Q8TE23 2/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL2817018 0.90 CYP2D6 (0.45) CYP2D6MAPK1CYP3A4CYP1A2CYP2C9
SCHEMBL484547 0.89 CYP2D6 (0.45) CYP2D6MAPK1CYP3A4CYP1A2CYP2C9
SCHEMBL484276 0.88 TAS1R3 (0.42) CYP2D6MAPK1CYP3A4CYP2C19TSHR
SCHEMBL484837 0.88 CYP2D6 (0.39) CYP2D6MAPK1CYP3A4CYP1A2CYP2C9
SCHEMBL2817754 0.87 CYP2D6 (0.47) CYP2D6MAPK1CYP3A4CYP1A2CYP2C9
SCHEMBL485299 0.87 CYP3A4 (0.57) CYP2D6MAPK1CYP3A4CYP1A2CYP2C9
SCHEMBL2817571 0.86 CYP2D6 (0.46) CYP2D6MAPK1CYP3A4CYP1A2CYP2C9
SCHEMBL485050 0.86 CYP2D6 (0.47) CYP2D6MAPK1CYP3A4CYP1A2CYP2C9
SCHEMBL2818203 0.86 CYP2D6 (0.46) CYP2D6MAPK1CYP3A4CYP1A2CYP2C9
SCHEMBL2818861 0.86 GABRD (0.44) CYP2D6MAPK1CYP2C19USP2TAS1R3

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
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
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 1926/4885MAPK1 1001/4885CYP3A4 3781/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP2D6 1926/4885MAPK1 1001/4885CYP3A4 3781/4885

“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.