SCHEMBL1312285

SCHEMBL1312285

O=C([C@H](Cc1ccccc1)N(Cc1ccncc1)C(=O)O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.50
CHRM1 P11229 2/20 0.46
FKBP1A P62942 1/20 0.42
TSHR P16473 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
KDM1A O60341 1/20 0.40
KCNA5 P22460 1/20 0.39
KCNH2 Q12809 1/20 0.39
PIK3CD O00329 2/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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 SCHEMBL1311367 0.99 MMP8 (0.49) MMP8CHRM1FKBP1ATSHRKDM4E
SCHEMBL4704282 0.80 CHRM1 (0.44) MMP8CHRM1TSHRKDM4EALDH1A1
SCHEMBL1310767 0.79 CYP3A4 (0.46) CHRM1TSHRALDH1A1MEN1KMT2A
SCHEMBL15855778 0.75 MMP8 (0.49) MMP8FKBP1ATSHRALDH1A1MEN1
SCHEMBL1310391 0.74 HPGD (0.47) MMP8CHRM1TSHRALDH1A1MEN1
SCHEMBL6268215 0.74 AKT1 (0.51) MMP8CHRM1TSHRPIK3CDPIK3CA
SCHEMBL1311414 0.73 ALDH1A1 (0.47) CHRM1TSHRALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL1311709 0.73 HPGD (0.46) MMP8CHRM1TSHRALDH1A1MEN1
SCHEMBL1311799 0.73 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPT
SCHEMBL6252653 0.72 MMP1 (0.51) MMP8CHRM1TSHRKDM4EALDH1A1

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 MMP8 1846/4885CHRM1 1796/4885FKBP1A 3067/4885

“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.