SCHEMBL12115243

SCHEMBL12115243

O=C(N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1)OCc1ccncc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.68
TGM2 P21980 2/20 0.59
CTSK P43235 4/20 0.53
CTSB P07858 4/20 0.53
CTSS P25774 4/20 0.53
CTSL P07711 3/20 0.53
GPR142 Q7Z601 1/20 0.49

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
SCHEMBL4342556 1.00 CYP1A2 (0.68) CYP1A2TGM2CTSKCTSBCTSS
SCHEMBL9595102 0.84 CYP1A2 (0.78) CYP1A2CTSKCTSBCTSSCTSL
SCHEMBL12126850 0.82 CYP1A2 (0.58) CYP1A2
Hydrochloric Acid SCHEMBL1311568 0.81 CYP1A2 (0.58) CYP1A2
Hydrochloric Acid SCHEMBL1665353 0.81 CYP1A2 (0.57) CYP1A2
SCHEMBL13578646 0.78 CYP1A2 (0.51) CYP1A2TGM2
SCHEMBL13578626 0.78 CYP1A2 (0.51) CYP1A2TGM2
SCHEMBL6316867 0.78 CYP1A2 (0.59) CYP1A2
SCHEMBL12115444 0.77 CTSL (0.61) CTSKCTSBCTSSCTSL
SCHEMBL1091157 0.77 TGM2 (0.93) TGM2CTSKCTSBCTSSCTSL

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-20110275638-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (SE) 2011-11-10 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-20110275638-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ADIPOR2, GPR119, ADIPOR1 CYP1A2 1812/4885TGM2 2425/4885CTSK 3389/4885

“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.