SCHEMBL4469871

SCHEMBL4469871

CCN(CC)C(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
KEAP1 Q14145 1/20 0.49
TP53 P04637 1/20 0.49
SLC6A2 P23975 4/20 0.48
SLC6A4 P31645 4/20 0.48
MLYCD O95822 1/20 0.47
MAPK1 P28482 1/20 0.46
CTNNB1 P35222 1/20 0.45
WNT3A P56704 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC6A3 Q01959 1/20 0.44
F2R P25116 1/20 0.44

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
SCHEMBL14052381 0.87 KEAP1 (0.51) TSHRLMNAGAAKEAP1TP53
SCHEMBL16625279 0.85 CTSS (0.51) TSHRLMNAGAAKEAP1TP53
SCHEMBL7223244 0.84 LMNA (0.51) TSHRLMNAKEAP1TP53MLYCD
SCHEMBL7280670 0.83 TSHR (0.54) TSHRLMNAKEAP1TP53MLYCD
SCHEMBL29822323 0.81 TP53 (0.69) TSHRLMNAKEAP1TP53MAPK1
SCHEMBL610480 0.81 TP53 (0.69) TSHRLMNAKEAP1TP53MAPK1
SCHEMBL13305637 0.80 OPRM1 (0.47) TSHRKEAP1ALDH1A1MAPT
SCHEMBL16487401 0.80 SMN1; SMN2 (0.58) LMNAGAAKEAP1SLC6A2SLC6A4
SCHEMBL26252 0.80 LMNA (0.47) LMNAGAATP53SLC6A2SLC6A4
SCHEMBL28204816 0.80 LMNA (0.47) LMNAGAASLC6A2SLC6A4MAPK1

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486753-A Fluorine-containing benzoyl diethylamine compound with mosquito repellent effect, method and application thereof in mosquito repellent 天津科技大学 2024-02-02 CN claimed
CN-117486753-A Fluorine-containing benzoyl diethylamine compound with mosquito repellent effect, method and application thereof in mosquito repellent 天津科技大学 2024-02-02 CN disclosed
CN-113603635-B Method for hydrolyzing and decarboxylating aromatic dicarboxylic acid ester 湖南速博生物技术有限公司 2021-12-24 CN disclosed
CN-113603635-A Method for hydrolyzing and decarboxylating aromatic dicarboxylic acid ester 湖南速博生物技术有限公司 2021-11-05 CN disclosed
US-7572805-B2 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
EP-1778225-A2 PYRROLO(OXO)ISOQUINOLINES AS 5HT LIGANDS Bristol-Myers Squibb Company (US) 2007-05-02 EP disclosed
WO-2006019886-A2 PYRROLO(OXO)ISOQUINOLINES AS 5HT LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 WO disclosed
US-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY 2006-01-19 US disclosed
US-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 US disclosed
US-6410558-B1 USING INDOLE OR QUINOLINE COMPOUND MONSANTO TECHNOLOGY LLC 2002-06-25 US disclosed
US-5296496-A Treating degenerative diseases STERLING WINTHROP INC. (US) 1994-03-22 US disclosed
US-5250696-A Treatment of degenerative diseases STERLING WINTHROP INC. (US) 1993-10-05 US disclosed
EP-0550112-A1 2-Saccharinylmethyl aryl and aryloxy acetates useful as proteolytic enzyme inhibitors and pharmaceutical compositions contaning them STERLING WINTHROP INC. (US) 1993-07-07 EP disclosed
EP-0550111-A1 2-Saccharinylmethyl heterocyclic carboxylates useful as proteolytic enzyme inhibitors and pharmaceutical compositions containing them STERLING WINTHROP INC. (US) 1993-07-07 EP disclosed
EP-0549073-A1 Novel 2-saccharinylmethyl and 4,5,6,7-tetrahydro-2-saccharinylmethyl phosphates, phosphonates and phosphinates useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP INC. (US) 1993-06-30 EP disclosed
WO-1993007751-A1 FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1993-04-29 WO disclosed
EP-0538231-A1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1993-04-21 EP disclosed
US-5187173-A Degenerative diseases such as emphysema, rheumatoid arthritis, pancreatitis, cyctic fibrosis and skin disorders STERLING WINTHROP INC. (US) 1993-02-16 US disclosed
US-5128339-A Emphysema, rheumatoid arthritis, pancreatitis STERLING WINTHROP INC. (US) 1992-07-07 US disclosed
EP-0483928-A1 2-Saccharinylmethyl aryl carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use STERLING WINTHROP INC. (US) 1992-05-06 EP 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-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands HTR2B, OPRD1, HTR1B TSHR 368/4885LMNA 3051/4885GAA 2711/4885

“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.