SCHEMBL8744330

SCHEMBL8744330

CC(C)(CN)c1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.60
LOXL2 Q9Y4K0 2/20 0.42
KIF11 P52732 4/20 0.41
HDAC8 Q9BY41 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNA1 Q09470 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRAF P15056 1/20 0.35
HRH1 P35367 2/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL22081818 0.83 TAAR1 (0.42) TAAR1LOXL2KIF11HDAC8MEN1
SCHEMBL6562809 0.82 TAAR1 (0.75) TAAR1LMNACYP2D6MAPTTSHR
Hydrochloric Acid SCHEMBL6563360 0.79 TAAR1 (0.71) TAAR1CYP2D6MAPTTSHRSMN1; SMN2
SCHEMBL5007563 0.79 LOXL2 (0.41) TAAR1LOXL2KIF11MEN1ALDH1A1
SCHEMBL27526789 0.79 KIF11 (0.52) KIF11HDAC8MEN1ALDH1A1LMNA
SCHEMBL8057442 0.78 RAB9A (0.44) KIF11HDAC8LMNAMAPTMAPK1
SCHEMBL10487429 0.76 KIF11 (0.41) TAAR1KIF11HDAC8USP2RAB9A
SCHEMBL793347 0.76 TAAR1 (0.60) TAAR1KIF11ALDH1A1TSHR
SCHEMBL22317811 0.76 HDAC8 (0.42) TAAR1LOXL2KIF11HDAC8LMNA
SCHEMBL18682641 0.76 SHBG (0.56) TAAR1KIF11HDAC8ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113302184-B 1,3, 4-Oxadiazolinone compounds and medicaments 日本新药株式会社 2024-11-22 CN disclosed
US-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2022-01-27 US disclosed
EP-3882239-A1 1,3,4-OXADIAZOLONE COMPOUND AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2021-09-22 EP disclosed
CN-113302184-A 1,3, 4-oxadiazolinone compounds and drugs 日本新药株式会社 2021-08-24 CN disclosed
US-5614534-A Derivatives of β, β-dimethyl-4-piperidineethanamine as inhibitors of the cholesterol biosynthesis FOURNIER INDUSTRIE ET SANTE (FR) 1997-03-25 US disclosed
EP-0699187-B1 BETA,BETA-DIMETHYL-4-PIPERIDINEETHANAMINE DERIVATIVES AS INHIBITORS OF THE CHOLESTEROL BIOSYNTHESIS FOURNIER IND & SANTE (FR) 1997-01-22 EP disclosed
EP-0699187-A1 DERIVATIVES OF -g(b), -g(b)-DIMETHYL-4-PIPERIDINEETHANAMINE AS INHIBITORS OF THE CHOLESTEROL BIOSYNTHESIS FOURNIER IND & SANTE (FR) 1996-03-06 EP disclosed
WO-1994026713-A1 DERIVATIVES OF β, β-DIMETHYL-4-PIPERIDINEETHANAMINE AS INHIBITORS OF THE CHOLESTEROL BIOSYNTHESIS FOURNIER INDUSTRIE ET SANTE (FR) 1994-11-24 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-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL PIM1, PIM3, PIM2 TAAR1 4813/4885LOXL2 862/4885KIF11 4208/4885

“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.