SCHEMBL4158271

SCHEMBL4158271

Cc1cc([C@@H]2CN(C(=O)O)CC[C@H]2NC(=O)c2ccc(Cl)cc2)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPTLC2 O15270 5/20 0.46
CHRNA7 P36544 3/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
F10 P00742 1/20 0.43
TACR2 P21452 3/20 0.41
TACR1 P25103 3/20 0.41
TAC3 Q9UHF0 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR1 P32246 2/20 0.40
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL4158269 1.00 SPTLC2 (0.46) SPTLC2CHRNA7HTR3EHTR3BALOX15
SCHEMBL4124206 0.93 CHRNA7 (0.49) SPTLC2CHRNA7HTR3EHTR3BALOX15
SCHEMBL4149396 0.93 CHRNA7 (0.49) SPTLC2CHRNA7HTR3EHTR3BALOX15
SCHEMBL4149849 0.91 CHRNA7 (0.48) SPTLC2CHRNA7HTR3EHTR3BALOX15
SCHEMBL4153336 0.91 CHRNA7 (0.48) SPTLC2CHRNA7HTR3EHTR3BALOX15
SCHEMBL4141880 0.91 CHRNA7 (0.48) SPTLC2CHRNA7HTR3EHTR3BALOX15
SCHEMBL4150156 0.88 CHRNA7 (0.46) SPTLC2CHRNA7HTR3EHTR3BALOX15
SCHEMBL4150154 0.88 CHRNA7 (0.46) SPTLC2CHRNA7HTR3EHTR3BALOX15
SCHEMBL13814719 0.87 KMT2A (0.43) SPTLC2CHRNA7HTR3EHTR3BALOX15
SCHEMBL13801612 0.87 KMT2A (0.43) SPTLC2CHRNA7HTR3EHTR3BALOX15

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 SPTLC2 3640/4885CHRNA7 539/4885HTR3E 215/4885

“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.