SCHEMBL7083590

SCHEMBL7083590

O=C(O)c1ncn(Cc2ccccc2)c1CC1CCCCCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.56
TSHR P16473 2/20 0.56
GAA P10253 1/20 0.56
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RAD52 P43351 1/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ENPP2 Q13822 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PPM1D O15297 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
SCHEMBL7086563 0.85 CYP19A1 (0.43) PKMTSHRGAAALDH1A1RAD52
SCHEMBL6161594 0.83 GAA (0.41) PKMTSHRGAAPPM1D
SCHEMBL7682379 0.78 KDM4E (0.43) GAAKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL7682387 0.76 MAPT (0.41) TSHRKDM4EALDH1A1LMNA
SCHEMBL2808649 0.72 PKM (1.00) PKMTSHRGAAHPGDEGLN1
SCHEMBL3232017 0.72 PKM (0.71) PKMTSHRGAAHPGDEGLN1
SCHEMBL4958156 0.71 PKM (0.69) PKMTSHRGAAKDM4EHPGD
SCHEMBL2146048 0.68 PKM (0.64) PKMTSHRGAAHPGDEGLN1
SCHEMBL7946943 0.68 CNR1 (0.43) KDM4EALDH1A1HPGDCNR1CNR2
SCHEMBL7974103 0.68 SMN1; SMN2 (0.42) PKMTSHRGAAALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030195240-A1 Pharmaceutical compositions comprising proton pump inhibitors and gastrin/cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2003-10-16 US disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
WO-2001085167-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PROTON PUMP INHIBITORS AND GASTRIN/CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 WO 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-20030195240-A1 Pharmaceutical compositions comprising proton pump inhibitors and gastrin/cholecystokinin receptor ligands GIPR, CCKAR, CCKBR PKM 3275/4885TSHR 41/4885GAA 1066/4885

“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.