SCHEMBL3688798

SCHEMBL3688798

O=C(ON1C(=O)CCC1=O)c1ccc(Oc2ccccc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.50
OPRM1 P35372 11/20 0.44
OPRK1 P41145 10/20 0.44
OPRD1 P41143 6/20 0.44
HPGDS O60760 1/20 0.43
GRN P28799 2/20 0.43
SORT1 Q99523 2/20 0.43
CTSA P10619 2/20 0.41
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL6705699 0.82 NAAA (0.50) HTTSMN1; SMN2
SCHEMBL30737320 0.79 ROCK2 (0.40) HRH3OPRM1OPRK1OPRD1ROCK1
SCHEMBL30737477 0.78 MTNR1A (0.48) HRH3
SCHEMBL3586183 0.76 LMNA (0.60) HRH3OPRM1OPRK1OPRD1GRN
SCHEMBL3683204 0.76 L3MBTL1 (0.59) MAPTCYP2C9CYP2C19KCNH2
SCHEMBL30914672 0.76 MAPK1 (0.40) GAA
SCHEMBL29727768 0.76 AKR1C3 (0.55) GAAMAPTHTTSMN1; SMN2
SCHEMBL1445644 0.76 MAPK1 (0.40) GAA
SCHEMBL8530920 0.76 AKR1C3 (0.55) GAAMAPTHTTSMN1; SMN2
SCHEMBL1271501 0.76 MAPT (0.57) HRH3OPRM1OPRK1OPRD1GRN

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-8410150-B2 Inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-04-02 US disclosed
US-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK 2010-04-29 US disclosed
WO-2008109991-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2008-09-18 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-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 HRH3 4795/4885OPRM1 4691/4885OPRK1 4176/4885

“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.