SCHEMBL3370522

SCHEMBL3370522

O=C(CCCOc1ccccc1)N1CCCC1c1nnc(-c2ccccc2F)o1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.49
CPT2 P23786 1/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
HPGD P15428 2/20 0.48
HCRTR1 O43613 11/20 0.48
HCRTR2 O43614 10/20 0.48
TNKS O95271 1/20 0.46
PARP1 P09874 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
DPP4 P27487 1/20 0.41

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
SCHEMBL3365147 0.85 HCRTR1 (0.49) RAB9ANPC1HCRTR1HCRTR2TNKS
SCHEMBL3364808 0.82 HCRTR1 (0.49) RAB9ANPC1HCRTR1HCRTR2TNKS
SCHEMBL3369471 0.82 HCRTR1 (0.54) RAB9ANPC1HPGDHCRTR1HCRTR2
SCHEMBL3367019 0.82 HCRTR1 (0.53) CPT1ACPT2RAB9ANPC1HCRTR1
SCHEMBL3367428 0.79 HCRTR1 (0.55) RAB9ANPC1HCRTR1HCRTR2
SCHEMBL3366979 0.76 HCRTR1 (0.51) RAB9ANPC1HCRTR1HCRTR2DPP4
SCHEMBL3369395 0.76 HCRTR1 (0.56) RAB9ANPC1HCRTR1HCRTR2
SCHEMBL3369474 0.76 HCRTR1 (0.47) RAB9ANPC1HPGDHCRTR1HCRTR2
SCHEMBL6068831 0.76 HCRTR1 (0.49) RAB9ANPC1HPGDHCRTR1HCRTR2
SCHEMBL3369241 0.75 CPT1A (0.57) CPT1ACPT2

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
EP-1532141-B1 2-PYRROLIDIN-2-YL- [1,3,4]-OXADIAZOLE DERIVATIVES AND THE USE OF THE SAME AS ANTIDEPRESSANTS GRUENENTHAL GMBH (DE) 2010-10-13 EP disclosed
US-7105538-B2 2-pyrrolidin-2-yl-[1,3,4]-oxadiazole compounds and their use as anti-depressants GRUENENTHAL GMBH (DE) 2006-09-12 US disclosed
US-20050187260-A1 2-Pyrrolidin-2-yl-[1,3,4]-oxadiazole compounds and their use as anti-depressants GRUENENTHAL GMBH (DE) 2005-08-25 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-20050187260-A1 2-Pyrrolidin-2-yl-[1,3,4]-oxadiazole compounds and their use as anti-depressants OPRD1, OPRK1, GRIN2C CPT1A 970/4885CPT2 673/4885RAB9A 3699/4885

“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.