SCHEMBL26944604

SCHEMBL26944604

CCc1ccc(N2CCNC(=O)C2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.45
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
LRRK2 Q5S007 4/20 0.41
CCNT1 O60563 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND3 P30281 1/20 0.41
CDK9 P50750 1/20 0.41
CDK6 Q00534 1/20 0.41
PRMT5 O14744 1/20 0.41
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
LCAT P04180 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
WNT3A P56704 1/20 0.39
ALOX5AP P20292 1/20 0.38
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL31662886 0.86 HPGDS (0.45) HPGDSPIK3CAMTORLRRK2CCNT1
Hydrochloric Acid SCHEMBL26932372 0.85 HPGDS (0.44) HPGDSPIK3CAMTORLRRK2CCNT1
SCHEMBL9963945 0.81 GRIN2D (0.51) HPGDSLRRK2CCNT1CDK4CCND1
SCHEMBL26932376 0.80 HPGDS (0.48) HPGDSCCNT1CDK4CCND1CCND3
SCHEMBL10201937 0.79 PLD1 (0.49) PIM1PIM3PIM2GPR119HRH3
SCHEMBL12184922 0.78 GRIN2D (0.51) HPGDSPIK3CAMTORLRRK2CCNT1
SCHEMBL15205734 0.78 GRIN2D (0.51) HPGDSLRRK2CCNT1CDK4CCND1
SCHEMBL31369865 0.78 HPGDS (0.44) HPGDSPRMT5PIM1PIM3PIM2
SCHEMBL14349679 0.78 HPGDS (0.43) HPGDSLRRK2CCNT1CDK4CCND1
SCHEMBL14349622 0.78 HPGDS (0.45) HPGDSLRRK2CCNT1CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399307-A1 ALDH-2 INHIBITOR COMPOUNDS AND METHODS OF USE AMYGDALA NEUROSCIENCES, INC. (US) 2023-12-14 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-20230399307-A1 ALDH-2 INHIBITOR COMPOUNDS AND METHODS OF USE ALDH1A1, ALDH2, ALDH3A1 HPGDS 2161/4885PIK3CA 3631/4885MTOR 3136/4885

“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.