SCHEMBL4153048

SCHEMBL4153048

Cc1ccc(C(=O)NC2CCN(C(=O)O)CC2c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 6/20 0.49
TACR1 P25103 6/20 0.49
TAC3 Q9UHF0 3/20 0.49
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
SPTLC2 O15270 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CHRNA7 P36544 1/20 0.42
CCR1 P32246 1/20 0.41
CCR3 P51677 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL4153052 1.00 TACR2 (0.49) TACR2TACR1TAC3LMNATP53
SCHEMBL4149849 0.92 CHRNA7 (0.48) TACR2TACR1TAC3SPTLC2TAS1R3
SCHEMBL4141880 0.92 CHRNA7 (0.48) TACR2TACR1TAC3SPTLC2TAS1R3
SCHEMBL4153336 0.92 CHRNA7 (0.48) TACR2TACR1TAC3SPTLC2TAS1R3
SCHEMBL4157133 0.90 SSTR3 (0.49) TACR2TACR1SPTLC2TAS1R3TAS1R2
SCHEMBL4141183 0.90 TACR2 (0.49) TACR2TACR1TAC3SPTLC2TAS1R3
SCHEMBL4141180 0.90 TACR2 (0.49) TACR2TACR1TAC3SPTLC2TAS1R3
SCHEMBL4157136 0.90 SSTR3 (0.49) TACR2TACR1SPTLC2TAS1R3TAS1R2
SCHEMBL4154140 0.89 SSTR3 (0.52) TACR2TACR1TAC3SPTLC2TAS1R3
SCHEMBL4154136 0.89 SSTR3 (0.52) TACR2TACR1TAC3SPTLC2TAS1R3

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 TACR2 19/4885TACR1 9/4885TAC3 47/4885

“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.