SCHEMBL17682007

SCHEMBL17682007

Cc1nccc(C2CC2)c1CO

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.37
CYP17A1 P05093 2/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR6 P50406 5/20 0.33
CYP2A6 P11509 1/20 0.32
RET P07949 1/20 0.32
MAOA P21397 1/20 0.32
DYRK1A Q13627 1/20 0.32
HTT P42858 1/20 0.32
P2RX7 Q99572 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL31214480 0.82 CYP17A1 (0.37) IDO1CYP17A1KDM4EHTR6HTT
SCHEMBL28189531 0.80 ALDH1A1 (0.37) ALDH1A1RET
SCHEMBL31214456 0.80 PRKAA2 (0.35) CYP17A1RETP2RX7
SCHEMBL31214451 0.80 PRKAA2 (0.35) CYP17A1RETP2RX7
SCHEMBL17679300 0.78 SSTR4 (0.32) RET
SCHEMBL28367429 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL23061556 0.75 IDO1 (0.50) IDO1CYP17A1KDM4EHTR6CYP2A6
SCHEMBL305502 0.72 NOS2 (0.45) KDM4EALDH1A1HPGDHSD17B10CYP2A6
SCHEMBL31150926 0.72 NOS2 (0.45) KDM4EALDH1A1HPGDHSD17B10CYP2A6
SCHEMBL21542709 0.72 CYP17A1 (0.40) IDO1CYP17A1KDM4EHTR6HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688754-A1 KCC2 POTENTIATORS AND USES THEREOF Axonis Therapeutics, Inc. (US) 2026-02-11 EP disclosed
US-20260028351-A1 KCC2 POTENTIATORS AND USES THEREOF AXONIS THERAPEUTICS, INC. 2026-01-29 US disclosed
WO-2024211744-A1 KCC2 POTENTIATORS AND USES THEREOF AXONIS THERAPEUTICS, INC. (US) 2024-10-10 WO disclosed
US-20160102073-A1 2-HYDROXYMETHYL-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-04-14 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 (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-20260028351-A1 KCC2 POTENTIATORS AND USES THEREOF GRIN2C, HCN1, KCNC1 IDO1 4343/4885CYP17A1 1981/4885KDM4E 3650/4885
US-20160102073-A1 2-HYDROXYMETHYL-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CRHR2 IDO1 380/4885CYP17A1 700/4885KDM4E 498/4885

“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.