SCHEMBL26033119

SCHEMBL26033119

C=C(N)Cc1ccc(C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
HTT P42858 1/20 0.45
CNR2 P34972 1/20 0.41
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
NLRP3 Q96P20 1/20 0.40
EPHX1 P07099 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
GRIN2D O15399 3/20 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
SCHEMBL9636849 0.81 IDO1 (0.45) IDO1HTTCNR2NLRP3HDAC3
SCHEMBL24244099 0.81 IDO1 (0.45) IDO1HTTCNR2NLRP3HDAC3
SCHEMBL11503253 0.81 IDO1 (0.45) IDO1HTTCNR2NLRP3HDAC3
SCHEMBL2016585 0.79 CA2 (0.57) IDO1CNR2NLRP3EPHX1KIF11
SCHEMBL18719689 0.79 IDO1 (0.48) IDO1HTTCNR2NOS3NOS1
SCHEMBL9256936 0.78 ALDH1A1 (0.48) NOS1ALDH1A1
Hydrochloric Acid SCHEMBL8148470 0.78 CA2 (0.55) IDO1CNR2NLRP3EPHX1KIF11
SCHEMBL13946577 0.76 IDO1 (0.46) IDO1HTTCNR2NOS3NOS1
SCHEMBL24386036 0.76 IDO1 (0.47) IDO1
SCHEMBL12942979 0.76 IDO1 (0.47) IDO1

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-11708346-B2 Treatment and prevention of neuropathic pain with P2Y14 antagonists SAINT LOUIS UNIVERSITY (US) 2023-07-25 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-11708346-B2 Treatment and prevention of neuropathic pain with P2Y14 antagonists P2RY14, P2RY4, P2RY13 IDO1 3238/4885HTT 2054/4885CNR2 24/4885

“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.