SCHEMBL21876110

SCHEMBL21876110

Cn1ncc2cc(C3CCC(C=O)CC3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 6/20 0.44
KDM1A O60341 4/20 0.43
PTGER3 P43115 1/20 0.42
HDAC4 P56524 3/20 0.42
CREBBP Q92793 2/20 0.42
BRD4 O60885 1/20 0.42
DYRK3 O43781 2/20 0.38
CLK1 P49759 2/20 0.38
CLK3 P49761 2/20 0.38
DYRK1A Q13627 2/20 0.38
DYRK2 Q92630 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
DYRK1B Q9Y463 2/20 0.38
DYRK4 Q9NR20 1/20 0.38
CLK2 P49760 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
PDE2A O00408 1/20 0.38
PDE5A O76074 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL21876109 1.00 PDE1C (0.44) PDE1CKDM1APTGER3HDAC4CREBBP
SCHEMBL29769081 0.89 PDE1C (0.48) PDE1CKDM1APTGER3HDAC4CREBBP
SCHEMBL19868691 0.81 PDE1C (0.45) PDE1CKDM1APTGER3HDAC4CREBBP
SCHEMBL1365601 0.80 PDE1C (0.44) PDE1CKDM1APTGER3HDAC4CREBBP
SCHEMBL15317630 0.80 QDPR (0.50) PDE1CKDM1APTGER3HDAC4CREBBP
SCHEMBL19868677 0.80 KDM1A (0.49) PDE1CKDM1APTGER3HDAC4CREBBP
SCHEMBL27306565 0.80 KDM1A (0.44) PDE1CKDM1APTGER3HDAC4CREBBP
SCHEMBL19868693 0.78 PDE1C (0.41) PDE1CKDM1APTGER3HDAC4CREBBP
Hydrochloric Acid SCHEMBL30567988 0.78 PDE1C (0.45) PDE1CKDM1APTGER3HDAC4PDE2A
Hydrochloric Acid SCHEMBL21381782 0.78 PDE1C (0.45) PDE1CKDM1APTGER3HDAC4PDE2A

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-20200131142-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2020-04-30 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-20200131142-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 PDE1C 2271/4885KDM1A 4845/4885PTGER3 248/4885

“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.