SCHEMBL4157818

SCHEMBL4157818

O=C(NC1CCN(C(=O)O)CC1c1cc(Cl)cc(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RHOC P08134 6/20 0.43
RHOA P61586 6/20 0.43
SPTLC2 O15270 6/20 0.41
KCNH2 Q12809 4/20 0.38
CACNA1I Q9P0X4 1/20 0.38
F2R P25116 1/20 0.38
TACR2 P21452 1/20 0.37
TACR1 P25103 1/20 0.37
TAC3 Q9UHF0 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL4157819 1.00 RHOC (0.43) RHOCRHOASPTLC2KCNH2CACNA1I
SCHEMBL4163877 0.91 RHOC (0.49) RHOCRHOASPTLC2F2R
SCHEMBL4163875 0.91 RHOC (0.49) RHOCRHOASPTLC2F2R
SCHEMBL4153309 0.90 SPTLC2 (0.45) RHOCRHOASPTLC2F2R
SCHEMBL4153314 0.90 SPTLC2 (0.45) RHOCRHOASPTLC2F2R
SCHEMBL4153321 0.87 SPTLC2 (0.48) SPTLC2F2RTACR1
SCHEMBL4149557 0.87 TACR1 (0.51) RHOCRHOASPTLC2F2RTACR2
SCHEMBL4151130 0.87 TACR1 (0.51) RHOCRHOASPTLC2F2RTACR2
SCHEMBL4151135 0.87 TACR1 (0.51) RHOCRHOASPTLC2F2RTACR2
SCHEMBL13814614 0.86 STS (0.48) RHOCRHOASPTLC2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470816-B2 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 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 (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-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT RHOC 3633/4885RHOA 2966/4885SPTLC2 3640/4885

“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.