SCHEMBL6626359

SCHEMBL6626359

CC(N)c1ccc2c(c1)CCN2C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.49
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
RAB9A P51151 3/20 0.44
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 2/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL28700900 1.00 NOTUM (0.49) NOTUMHTR2AHTR2CCYP3A4CYP2C9
SCHEMBL28936707 1.00 NOTUM (0.49) NOTUMHTR2AHTR2CCYP3A4CYP2C9
SCHEMBL29239945 0.85 NOTUM (0.48) NOTUMHTR2AHTR2CCYP3A4CYP2C9
SCHEMBL31378002 0.85 NOTUM (0.48) NOTUMHTR2AHTR2CCYP3A4CYP2C9
SCHEMBL6646436 0.85 KDM4E (0.54) NOTUMHTR2AHTR2CCYP3A4CYP2C9
SCHEMBL25251247 0.81 MAPT (0.59) RAB9ACYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL19689717 0.81 GPR119 (0.47) NOTUMHTR2AHTR2CCYP3A4CYP2C9
SCHEMBL28459583 0.79 PDK1 (0.64) NOTUMHTR2AHTR2CPDK1PDK2
SCHEMBL25297519 0.79 RAB9A (0.65) NOTUMHTR2AHTR2CRAB9AALDH1A1
SCHEMBL25291279 0.79 RAB9A (0.65) NOTUMHTR2AHTR2CRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213310-B Indoline compound and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2024-02-23 CN disclosed
CN-114213310-A Indoline compound and derivative, preparation method, pharmaceutical composition and application thereof 中国药科大学 2022-03-22 CN disclosed
CN-109641881-A 1- THP trtrahydropyranyl carbonyl -2,3- dihydro -1H- benzazolyl compounds for treating cancer 伊莱利利公司 2019-04-16 CN 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 NOTUM 2404/4885HTR2A 1014/4885HTR2C 547/4885

“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.