SCHEMBL7042007

SCHEMBL7042007

CCCCNC(=O)[C@H]1Cc2cc(Cl)ccc2N1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.44
ALDH1A1 P00352 1/20 0.41
ALOX12 P18054 1/20 0.41
THRB P10828 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
PRCP P42785 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCL1 Q07820 2/20 0.40
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
EPHX1 P07099 3/20 0.38
HTR1A P08908 3/20 0.38
HTR2A P28223 3/20 0.38
DRD3 P35462 3/20 0.38
HTR2C P28335 2/20 0.38
NPY5R Q15761 1/20 0.38
DRD2 P14416 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
SCHEMBL7042289 0.85 NPC1 (0.45) THRBHDAC8PRCPLMNASMN1; SMN2
SCHEMBL7664595 0.85 NPC1 (0.45) THRBHDAC8PRCPLMNASMN1; SMN2
SCHEMBL7042291 0.85 NPC1 (0.45) THRBHDAC8PRCPLMNASMN1; SMN2
SCHEMBL7041535 0.83 HDAC8 (0.48) ALDH1A1HDAC8LMNASMN1; SMN2GAA
SCHEMBL7042773 0.83 HDAC8 (0.48) ALDH1A1HDAC8LMNASMN1; SMN2GAA
SCHEMBL7668937 0.83 HDAC8 (0.48) ALDH1A1HDAC8LMNASMN1; SMN2GAA
SCHEMBL7044762 0.82 MAPT (0.54) ALDH1A1PRCPGAAHTR1AHTR2A
SCHEMBL7039228 0.77 L3MBTL1 (0.51) HDAC8LMNASMN1; SMN2HTR2C
SCHEMBL13889887 0.76 GAA (0.42) ALDH1A1HDAC8GAA
SCHEMBL3256076 0.75 PDE5A (0.41) ALDH1A1SMN1; SMN2GAA

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-20030027743-A1 Tripeptidylpeptidase inhibitors INSERM 2003-02-06 US disclosed
US-6403561-B1 DISORDERS ASSOCIATED WITH THE INACTIVATION OR EXCESSIVE DEGRADATION OF CHOLECYSTOKININ; INHIBITING THE ENZYMATIC HYDROLYSIS OF CHOLECYSTOKININ 1-(2(S)-AMINOBUTYRYL)-2(S)-INDOLINECARBOXYLIC ACID INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-06-11 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-20030027743-A1 Tripeptidylpeptidase inhibitors DPP4, DPP3, DPP9 ALOX15 2996/4885ALDH1A1 630/4885ALOX12 3692/4885

“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.