SCHEMBL1310591

SCHEMBL1310591

Cc1cc(CN(C(=O)O)C(C)(C)C(=O)N(C)CCC(C)C)cc(C)n1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
RIPK1 Q13546 1/20 0.32
TACR1 P25103 1/20 0.31
LMNA P02545 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
Hydrochloric Acid SCHEMBL1311024 0.99 TLR9 (0.32) TLR9TLR8TLR7RIPK1TACR1
SCHEMBL1311333 0.79 ALDH1A1 (0.38) LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL1311047 0.78 ALDH1A1 (0.37) LMNASMN1; SMN2
SCHEMBL1578305 0.72 AAK1 (0.36) LMNASMN1; SMN2
SCHEMBL1336968 0.68 LMNA (0.43) RIPK1TACR1LMNASMN1; SMN2
SCHEMBL1310507 0.68 ERCC1 (0.36) LMNASMN1; SMN2
SCHEMBL1310401 0.68 KMT2A (0.38) SMN1; SMN2
Hydrochloric Acid SCHEMBL1311860 0.67 ERCC1 (0.35) LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL1334739 0.67 LMNA (0.42) RIPK1TACR1LMNASMN1; SMN2
SCHEMBL1310852 0.67 SMN1; SMN2 (0.41) LMNASMN1; SMN2

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-20110275638-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (SE) 2011-11-10 US claimed
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 TLR9 1501/4885TLR8 864/4885TLR7 646/4885

“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.