SCHEMBL6629680

SCHEMBL6629680

CC(=O)c1cc(F)cc(N2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
ATM Q13315 1/20 0.49
PRKDC P78527 1/20 0.49
ALDH1A1 P00352 5/20 0.48
KMO O15229 1/20 0.48
KDM4E B2RXH2 2/20 0.47
RAF1 P04049 1/20 0.45
BRAF P15056 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 1/20 0.45
PLAU P00749 1/20 0.45
AKR1C3 P42330 1/20 0.44
GPR183 P32249 1/20 0.44
DDR2 Q16832 1/20 0.43
LMNA P02545 1/20 0.43
TTR P02766 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL593762 0.86 KMO (0.60) MAPTPRKDCALDH1A1KMORAF1
SCHEMBL1793059 0.84 KMO (0.48) MAPTALDH1A1KMORAF1BRAF
SCHEMBL23662606 0.84 MRGPRX4 (0.49) MAPTALDH1A1KMOKDM4ERAF1
SCHEMBL8259537 0.83 SMN1; SMN2 (0.53) MAPTALDH1A1KDM4EPOLBLMNA
SCHEMBL8260952 0.81 TTR (0.46) ALDH1A1TTRMAOBTSHR
SCHEMBL22801064 0.81 MAPT (0.49) MAPTATMPRKDCALDH1A1KMO
SCHEMBL1189467 0.81 MAPT (0.46) MAPTATMPRKDCALDH1A1KMO
SCHEMBL4848831 0.81 KMO (0.55) MAPTPRKDCALDH1A1KMOKDM4E
SCHEMBL4829558 0.80 PIK3CA (0.54) MAPTALDH1A1KDM4EALOX15MAPK1
SCHEMBL3508314 0.79 KDM4E (0.50) MAPTPRKDCALDH1A1KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed
US-6831080-B2 E.g., 3-(2-fluorophenyl)-N-(1-(3-morpholin-4-yl)phenyl)-propyl)acrylamide; disorders responsive to opening of KCNQ potassium channels; analgesics; migraine, bipolar disorders, anticonvulsants, antiepileptic, anxiolytic agents BRISTOL-MYERS SQUIBB COMPANY 2004-12-14 US disclosed
EP-1392644-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-03 EP disclosed
US-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 US disclosed
WO-2002096858-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO 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-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators KCNH2, KCNH3, KCNQ1 MAPT 4835/4885ATM 4336/4885PRKDC 2613/4885

“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.