SCHEMBL3366680

SCHEMBL3366680

O=C(c1cccc(OC(F)(F)F)c1)N1CCCC1c1nnc(-c2cccnc2)o1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 14/20 0.49
HCRTR1 O43613 13/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GRM5 P41594 1/20 0.45
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
SCD O00767 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42

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
SCHEMBL3364202 0.90 HCRTR1 (0.54) HCRTR2HCRTR1ALDH1A1GRM5
SCHEMBL3366115 0.85 HCRTR1 (0.58) HCRTR2HCRTR1ALDH1A1KDM4EGRM5
SCHEMBL3365268 0.83 ABL1 (0.55) HCRTR2HCRTR1ALDH1A1KDM4EGRM5
SCHEMBL3368112 0.81 HCRTR1 (0.61) HCRTR2HCRTR1GRM5
SCHEMBL3367538 0.81 HCRTR1 (0.53) HCRTR2HCRTR1GRM5
SCHEMBL3366684 0.81 HCRTR2 (0.50) HCRTR2HCRTR1ALDH1A1GRM5SCD
SCHEMBL3369488 0.81 HCRTR2 (0.49) HCRTR2HCRTR1ALDH1A1KDM4EGRM5
SCHEMBL3370671 0.80 HCRTR2 (0.49) HCRTR2HCRTR1ALDH1A1GRM5SCD
SCHEMBL3370346 0.80 HCRTR2 (0.52) HCRTR2HCRTR1ALDH1A1GRM5SCD
SCHEMBL3368565 0.79 ALDH1A1 (0.54) HCRTR2HCRTR1ALDH1A1KDM4E

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 HCRTR2 146/4885HCRTR1 461/4885ALDH1A1 510/4885

“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.