SCHEMBL1310401

SCHEMBL1310401

Cc1cc(CN(C(=O)O)C(C)(C)C(=O)N2CC(C)OC(C)C2)cc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.36
NPC1 O15118 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
FKBP1A P62942 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1311350 1.00 KMT2A (0.38) KMT2AMEN1ALDH1A1HPGDCYP2C19
SCHEMBL1310852 0.81 SMN1; SMN2 (0.41) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL1310210 0.81 SMN1; SMN2 (0.40) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL12112903 0.71 KMT2A (0.37) KMT2AMEN1ALDH1A1HPGDCYP2C19
SCHEMBL1315257 0.69 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1HPGDCYP2C19
Hydrochloric Acid SCHEMBL1313304 0.69 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1HPGDCYP2C19
SCHEMBL1311333 0.68 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1HPGDCYP2C19
SCHEMBL1310591 0.68 TLR9 (0.32) SMN1; SMN2
Hydrochloric Acid SCHEMBL1311024 0.67 TLR9 (0.32)
SCHEMBL1336968 0.66 LMNA (0.43) KMT2AMEN1ALDH1A1CYP2C19NPSR1

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 KMT2A 2294/4885MEN1 3508/4885ALDH1A1 1875/4885

“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.