Sugi Predict

Sugi Predict / Compounds / SCHEMBL2819264

SCHEMBL2819264

SCHEMBL2819264

Cc1cccc(Cl)c1C(=O)NC1CCc2ccc(C(=O)N3CCC4(CCNCC4)C3)cc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GABRD O14764 4/20 0.43
▸ GABRA1 P14867 4/20 0.43
▸ GABRB1 P18505 4/20 0.43
▸ GABRA5 P31644 4/20 0.43
▸ GABRA3 P34903 4/20 0.43
▸ GABRA2 P47869 4/20 0.43
▸ GABRB2 P47870 4/20 0.43
▸ GABRA4 P48169 4/20 0.43
▸ NAMPT P43490 4/20 0.42
▸ L3MBTL3 Q96JM7 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TAS1R3 Q7RTX0 3/20 0.39
▸ TAS1R1 Q7RTX1 3/20 0.39
▸ TAS1R2 Q8TE23 2/20 0.39
▸ SPR P35270 1/20 0.39
▸ DDR1 Q08345 1/20 0.38
▸ KDM1A O60341 1/20 0.37

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
SCHEMBL2820289 0.91 NAMPT (0.44) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL484765 0.88 CYP2D6 (0.43) TAS1R3TAS1R1TAS1R2SPRDDR1
SCHEMBL2817716 0.88 TAS1R3 (0.43) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL485102 0.88 NAMPT (0.46) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL484834 0.87 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2SPRDDR1
SCHEMBL485054 0.86 KCNH2 (0.42) TAS1R3TAS1R1TAS1R2DDR1
SCHEMBL484493 0.86 CYP3A4 (0.48) KDM1A
SCHEMBL2817881 0.86 WDR5 (0.42) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL2818861 0.86 GABRD (0.44) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL484502 0.86 ACHE (0.42) L3MBTL1DDR1

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 disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
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-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US 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 GABRD 930/4885GABRA1 1238/4885GABRB1 1486/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN GABRD 930/4885GABRA1 1238/4885GABRB1 1486/4885

“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.