SCHEMBL1311546

SCHEMBL1311546

O=C(NC[C@H]1CCCO1)[C@H](Cc1ccccc1)N(Cc1ccncc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 1/20 0.52
ALDH1A1 P00352 5/20 0.51
HPGD P15428 5/20 0.51
KDM4E B2RXH2 2/20 0.51
HTT P42858 2/20 0.51
THRB P10828 1/20 0.51
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL1311477 1.00 GPR142 (0.52) GPR142ALDH1A1HPGDKDM4EHTT
Hydrochloric Acid SCHEMBL1313462 0.99 GPR142 (0.51) GPR142ALDH1A1HPGDKDM4EHTT
Hydrochloric Acid SCHEMBL1311426 0.99 GPR142 (0.51) GPR142ALDH1A1HPGDKDM4EHTT
SCHEMBL4342556 0.77 CYP1A2 (0.68) GPR142CYP1A2
SCHEMBL12115243 0.77 CYP1A2 (0.68) GPR142CYP1A2
SCHEMBL1311799 0.75 ALDH1A1 (0.47) GPR142ALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL6319173 0.74 CYP1A2 (0.52) ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2
SCHEMBL6316867 0.74 CYP1A2 (0.59) ALDH1A1HPGDLMNASMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL1310404 0.74 ALDH1A1 (0.46) GPR142ALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL1310767 0.74 CYP3A4 (0.46) ALDH1A1LMNACYP1A2MAPTCYP3A4

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 GPR142 73/4885ALDH1A1 1875/4885HPGD 1414/4885

“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.