SCHEMBL5457593

SCHEMBL5457593

NC(=O)CCn1cc(C(=O)N2CCN(c3nccc4ccsc34)CC2)c2ccc(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.47
CNR1 P21554 2/20 0.40
AVPR1A P37288 4/20 0.39
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
CCR5 P51681 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MALT1 Q9UDY8 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
STAT3 P40763 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL615244 0.85 HDAC2 (0.46) HDAC2CNR1AVPR1AHTR1AHTR1D
SCHEMBL5457598 0.82 HDAC2 (0.45) HDAC2CNR1HTR1AHTR1DHTR1B
SCHEMBL12024747 0.74 KRAS (0.51) CNR1AVPR1ASMN1; SMN2MEN1MAPT
SCHEMBL615591 0.73 NAMPT (0.43) CNR1AVPR1AMALT1
SCHEMBL614385 0.69 AVPR1A (0.55) CNR1AVPR1ASMN1; SMN2MEN1MAPT
SCHEMBL615451 0.69 SCD (0.44) CNR1AVPR1AMEN1MAPTKMT2A
SCHEMBL615567 0.68 SMN1; SMN2 (0.53) CNR1AVPR1ASMN1; SMN2MEN1MAPK1
SCHEMBL615655 0.67 KRAS (0.55) CNR1AVPR1AMEN1MAPTKMT2A
SCHEMBL615569 0.67 AVPR1A (0.56) CNR1AVPR1AMEN1MAPTKMT2A
SCHEMBL27737057 0.67 NAMPT (0.42) CNR1SMN1; SMN2MALT1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 US claimed

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-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR HDAC2 1627/4885CNR1 31/4885AVPR1A 1/4885

“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.