SCHEMBL435096

SCHEMBL435096

CC1CC(=O)N(CCc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
HPGD P15428 1/20 0.52
POLB P06746 3/20 0.52
TP53 P04637 1/20 0.52
ACHE P22303 2/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 0.47
GFER P55789 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.46
CYP2D6 P10635 1/20 0.46
SMAD3 P84022 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL434087 0.83 HPGD (0.64) DPP4SMN1; SMN2HPGDKMT2AL3MBTL1
SCHEMBL16080214 0.83 HPGD (0.64) DPP4SMN1; SMN2HPGDKMT2AL3MBTL1
SCHEMBL3876317 0.81 POLB (0.49) DPP4SMN1; SMN2HPGDPOLBTP53
SCHEMBL3867596 0.81 POLB (0.49) DPP4SMN1; SMN2HPGDPOLBTP53
SCHEMBL3866848 0.81 POLB (0.49) DPP4SMN1; SMN2HPGDPOLBTP53
SCHEMBL24827541 0.80 KMT2A (0.53) DPP4SMN1; SMN2HPGDPOLBTP53
SCHEMBL18997067 0.80 KMT2A (0.52) DPP4SMN1; SMN2HPGDPOLBTP53
SCHEMBL14662009 0.79 SMN1; SMN2 (0.65) SMN1; SMN2HPGDPOLBTP53KMT2A
SCHEMBL8508142 0.78 HPGD (0.53) DPP4SMN1; SMN2HPGDPOLBTP53
SCHEMBL6646350 0.78 DPP4 (0.52) DPP4SMN1; SMN2HPGDPOLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 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 (2 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 DPP4 3351/4885SMN1; SMN2 4331/4885HPGD 365/4885
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH DPP4 4028/4885SMN1; SMN2 3455/4885HPGD 224/4885

“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.