SCHEMBL23927882

SCHEMBL23927882

CN(C)C(Cc1cn(C)c2ccccc12)OC(=O)/C=C/C(=O)OC(Cc1cn(C)c2ccccc12)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.46
KDM4E B2RXH2 4/20 0.44
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR2A P28223 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
UTS2R Q9UKP6 1/20 0.41
ADAM17 P78536 1/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL23927878 0.76 DNM1 (0.48) KDM4EHPGDALDH1A1LMNAMAPT
SCHEMBL22345944 0.76 GPR84 (0.51) GPR84KDM4EHPGDHSD17B10HTR2A
SCHEMBL3304505 0.76 GPR84 (0.51) GPR84KDM4EHPGDHSD17B10HTR2A
Fumaric Acid SCHEMBL28666990 0.74 KDM4E (0.50) GPR84KDM4EHPGDHSD17B10HTR2A
Ammonia Solution, Strong SCHEMBL27663008 0.74 GPR84 (0.50) GPR84KDM4EHPGDHSD17B10HTR2A
SCHEMBL28406976 0.74 GPR84 (0.50) GPR84KDM4EHPGDHSD17B10HTR2A
Hydrochloric Acid SCHEMBL27640400 0.73 GPR84 (0.49) GPR84KDM4EHPGDHSD17B10HTR2A
Iodide SCHEMBL28079826 0.73 GPR84 (0.49) GPR84KDM4EHPGDHSD17B10HTR2A
SCHEMBL5018864 0.72 GPR84 (0.67) GPR84KDM4EHPGDHSD17B10HTR2A
SCHEMBL18413853 0.71 GPR84 (0.56) GPR84KDM4EHPGDHSD17B10HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254640-B2 N-substituted indoles and other heterocycles for treating brain disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-02-22 US disclosed
US-20210332012-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA CORPORATION 2021-10-28 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 (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-11254640-B2 N-substituted indoles and other heterocycles for treating brain disorders TPH2, AANAT, HTR2C GPR84 802/4885KDM4E 1049/4885HPGD 367/4885
US-20210332012-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS TPH2, AANAT, HTR2C GPR84 802/4885KDM4E 1049/4885HPGD 367/4885

“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.