SCHEMBL4154140

SCHEMBL4154140

COc1ccc(C(=O)N[C@@H]2CCN(C(=O)O)C[C@H]2c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.52
TACR2 P21452 2/20 0.51
TACR1 P25103 2/20 0.51
TAC3 Q9UHF0 1/20 0.51
SPTLC2 O15270 5/20 0.51
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MCHR1 Q99705 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
UTS2R Q9UKP6 1/20 0.41

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
SCHEMBL4154136 1.00 SSTR3 (0.52) SSTR3TACR2TACR1TAC3SPTLC2
SCHEMBL4153048 0.89 TACR2 (0.49) TACR2TACR1TAC3SPTLC2MEN1
SCHEMBL4153052 0.89 TACR2 (0.49) TACR2TACR1TAC3SPTLC2MEN1
SCHEMBL4149849 0.89 CHRNA7 (0.48) TACR2TACR1TAC3SPTLC2MEN1
SCHEMBL4153336 0.89 CHRNA7 (0.48) TACR2TACR1TAC3SPTLC2MEN1
SCHEMBL4141880 0.89 CHRNA7 (0.48) TACR2TACR1TAC3SPTLC2MEN1
SCHEMBL13801247 0.88 TACR2 (0.48) SSTR3TACR2TACR1TAC3SPTLC2
SCHEMBL13801616 0.88 TACR2 (0.48) SSTR3TACR2TACR1TAC3SPTLC2
SCHEMBL13814585 0.88 TACR2 (0.48) SSTR3TACR2TACR1TAC3SPTLC2
SCHEMBL4141180 0.87 TACR2 (0.49) SSTR3TACR2TACR1TAC3SPTLC2

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 SSTR3 45/4885TACR2 19/4885TACR1 9/4885

“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.