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Sugi Predict / Compounds / SCHEMBL4127968

SCHEMBL4127968

SCHEMBL4127968

CC(C)C[C@H](NC(=O)CCC1CCCCN1C(=O)OC(C)(C)C)C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 3/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ APP P05067 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38

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
SCHEMBL4777748 0.92 CAPN1 (0.40) CAPN1TRPV1BMP1CCR1ADAM17
SCHEMBL4142675 0.86 CAPN1 (0.40) CAPN1BMP1CCR1ADAM17TRPV4
SCHEMBL4130820 0.86 CAPN1 (0.47) CAPN1PSEN1BMP1CCR1ADAM17
SCHEMBL4129767 0.85 CAPN1 (0.47) CAPN1PSEN1BMP1CCR1ADAM17
SCHEMBL5439623 0.83 CAPN1 (0.47) CAPN1BMP1CCR1ADAM17CTSL
SCHEMBL5434781 0.81 CAPN1 (0.44) CAPN1PSEN1BMP1CCR1ADAM17
SCHEMBL5434829 0.81 CAPN1 (0.44) CAPN1PSEN1BMP1CCR1ADAM17
SCHEMBL4136304 0.80 CAPN1 (0.53) CAPN1BMP1CCR1ADAM17CTSL
SCHEMBL4140140 0.80 CAPN1 (0.43) CAPN1BMP1CCR1ADAM17CTSL
SCHEMBL4141710 0.80 CAPN1 (0.49) CAPN1PSEN1BMP1CCR1ADAM17

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 — — US claimed
EP-1940785-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SmithKline Beecham Corporation (US) 2008-07-09 — — EP claimed
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 — — WO claimed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 — — US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 — — US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 — — US disclosed
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 — — 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 (1 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 CAPN1 2031/4885TRPV1 3/4885APP 1863/4885

“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.