SCHEMBL9850874

SCHEMBL9850874

O=C(O)CN1CC(c2ccccc2)CC1=O

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.70
HPGD P15428 3/20 0.65
TSHR P16473 2/20 0.65
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 1/20 0.57
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
CHRM5 P08912 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
BRD4 O60885 3/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 2/20 0.50
HTT P42858 2/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL1906215 0.88 TP53 (0.67) TP53HPGDTSHRALDH1A1SMN1; SMN2
SCHEMBL563022 0.88 TP53 (0.67) TP53HPGDTSHRALDH1A1SMN1; SMN2
SCHEMBL3155232 0.88 TP53 (0.67) TP53HPGDTSHRALDH1A1SMN1; SMN2
SCHEMBL9670440 0.86 TP53 (0.54) TP53HPGDTSHRALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL32688148 0.86 TP53 (0.65) TP53HPGDTSHRALDH1A1SMN1; SMN2
SCHEMBL9669356 0.86 TP53 (0.54) TP53HPGDTSHRALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL32688158 0.86 TP53 (0.65) TP53HPGDTSHRALDH1A1SMN1; SMN2
SCHEMBL11553488 0.84 LMNA (0.71) TP53HPGDTSHRALDH1A1SMN1; SMN2
SCHEMBL20573309 0.84 TP53 (0.74) TP53HPGDTSHRALDH1A1SMN1; SMN2
SCHEMBL32688308 0.84 TP53 (0.74) TP53HPGDTSHRALDH1A1SMN1; SMN2

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
US-4144246-A COGNITION ACTIVATORS PARKE, DAVIS & COMPANY (US) 1979-03-13 US claimed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 US disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 US disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 US disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 US disclosed
EP-2295406-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-16 EP disclosed
EP-0440789-A1 CARBALKOXYMETHYL ETHERS OF LACTAM-1-ACETIC ACID AND METHOD OF OBTAINING THEM 2-i MOSKOVSKY GOSUDARSTVENNY MEDITSINSKY INSTITUT IMENI N.I. PIROGOVA (SU) 1991-08-14 EP disclosed
US-4144246-A COGNITION ACTIVATORS PARKE, DAVIS & COMPANY (US) 1979-03-13 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-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L TP53 564/4885HPGD 1800/4885TSHR 4026/4885

“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.