SCHEMBL6550099

SCHEMBL6550099

CCCc1ccc(C(=O)O)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.59
RARA P10276 2/20 0.59
RARG P13631 1/20 0.59
PPARA Q07869 2/20 0.53
MCL1 Q07820 1/20 0.53
PPARG P37231 1/20 0.49
KAT8 Q9H7Z6 2/20 0.49
METAP2 P50579 1/20 0.48
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
SORT1 Q99523 1/20 0.47
RXRA P19793 4/20 0.46
RXRB P28702 3/20 0.45
RXRG P48443 3/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
LCK P06239 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL7738951 0.96 RARB (0.60) RARBRARARARGPPARAMCL1
SCHEMBL9238571 0.88 RARB (0.76) RARBRARARARGPPARAPPARG
SCHEMBL5398835 0.87 KAT8 (0.51) RARBRARARARGPPARAMCL1
SCHEMBL16684105 0.87 MAOB (0.51) RARBRARARARGPPARAMCL1
SCHEMBL3281472 0.86 RARB (0.78) RARBRARARARGPPARAPPARG
SCHEMBL3281551 0.86 RARB (0.78) RARBRARARARGPPARAPPARG
SCHEMBL7736771 0.86 RARB (0.78) RARBRARARARGMCL1
SCHEMBL28260247 0.86 RARB (0.78) RARBRARARARGPPARAPPARG
SCHEMBL29893781 0.86 DGAT1 (0.51) RARBRARARARGPPARAMCL1
SCHEMBL7735953 0.86 RARB (0.46) RARBRARARARGPPARAMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929688-B 3- (4- (11H-dibenzo [ b, e ] [1,4] azepin-6-yl) piperazin-1-yl) -and 3- (4- (dibenzo [ b, f ] [1,4] oxazepin/thiazepin/diazepin-11-yl) piperazin-1-yl) -propionic acid derivatives as H1 and 5-HT 2A-receptor modulators for the treatment of sleep disorders 阿莱瑞恩公司 2024-11-01 CN disclosed
EP-4048667-B1 3-(4-(11H-DIBENZO[B,E][1,4]AZEPIN-6-YL)PIPERAZIN-1-YL)- AND 3-(4-(DIBENZO[B,F][1,4]OXAZEPIN/THIAZEPIN/DIAZEPIN-11-YL)PIPERAZIN-1-YL)-PROPANOIC ACID DERIVATIVES AS H1 AND 5-HT2A-RECEPTOR MODULATORS FOR THE TREATMENT OF SLEEP DISORDERS ALAIRION INC (US) 2024-07-03 EP disclosed
EP-4048667-A1 3-(4-(11H-DIBENZO[B,E][1,4]AZEPIN-6-YL)PIPERAZIN-1-YL)- AND 3-(4-(DIBENZO[B,F][1,4]OXAZEPIN/THIAZEPIN/DIAZEPIN-11-YL)PIPERAZIN-1-YL)-PROPANO IC ACID DERIVATIVES AS H1 AND 5-HT2A-RECEPTOR MODULATORS FOR THE TREATMENT OF SLEEP DISORDERS Alairion, Inc. (US) 2022-08-31 EP disclosed
CN-114929688-A 3- (4- (11H-dibenzo [ b, e ] [1,4] azepin-6-yl) piperazin-1-yl) -and 3- (4- (dibenzo [ b, f ] [1,4] oxazepin/thiazepin/diazepin-11-yl) piperazin-1-yl) -propionic acid derivatives as H1 and 5-HT 2A-receptor modulators for the treatment of sleep disorders 阿莱瑞恩公司 2022-08-19 CN disclosed
US-11046651-B2 Piperazine substituted azapine derivatives and uses thereof ALAIRION, INC. (US) 2021-06-29 US disclosed
US-11046651-B2 Piperazine substituted azapine derivatives and uses thereof ALAIRION, INC. (US) 2021-06-29 US disclosed
WO-2021080997-A1 3-(4-(11H-DIBENZO[B,E][1,4]AZEPIN-6-YL)PIPERAZIN-1-YL)- AND 3-(4-(DIBENZO[B,F][1,4]OXAZEPIN/THIAZEPIN/DIAZEPIN-11-YL)PIPERAZIN-1-YL)-PROPANO IC ACID DERIVATIVES AS H1 AND 5-HT2A-RECEPTOR MODULATORS FOR THE TREATMENT OF SLEEP DISORDERS ALAIRION, INC. (US) 2021-04-29 WO disclosed
US-20210114989-A1 PIPERAZINE SUBSTITUTED AZAPINE DERIVATIVES AND USES THEREOF Neumora Therapeutics, Inc. 2021-04-22 US disclosed
US-20210114989-A1 PIPERAZINE SUBSTITUTED AZAPINE DERIVATIVES AND USES THEREOF Neumora Therapeutics, Inc. 2021-04-22 US disclosed
CN-107721811-A A kind of biphenyl diluent of fluorine-type containing side and its synthetic method for high birefringence rate liquid crystal 陕西师范大学 2018-02-23 CN disclosed
WO-2002046148-A1 SUBSTITUTED ANTHRANILIC ACIDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-13 WO disclosed
CN-1073548-C Pheyl benzoate derivatives and liquid crystal compositions CHISSO CORP (JP) 2001-10-24 CN disclosed
EP-0808825-B1 PHENYL BENZOATE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORP (JP) 2001-09-12 EP disclosed
EP-0820976-B1 FLUORINE-SUBSTITUTED LIQUID-CRYSTAL COMPOUND, LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY DEVICE CHISSO CORP (JP) 2001-02-21 EP disclosed
US-6051288-A LARGE DIELECTRIC ANISOTROPY, SMALL CHANGE IN THRESHOLD VOLTAGE DEPENDING ON TEMPERATURE, AND AN IMPROVED SOLUBILITY TO OTHER LIQUID CRYSTAL MATERIALS AT LOW TEMPERATURES CHISSO CORPORATION (JP) 2000-04-18 US disclosed
US-5922243-A LOW VISCOSITY, HIGH DIELECTRIC AND LOW OPTICAL ANISOTROPY, EXCELLENT COMPATIBILITY CHISSO CORPORATION (JP) 1999-07-13 US disclosed
CN-1184462-A Fluorine-substituted liquid-crystal compound, liquid-crystal composition and liquid-crystal display device CHISSO CORP (JP) 1998-06-10 CN disclosed
CN-1178520-A phenyl benzoate derivative and liquid crystal composition CHISSO CORP (JP) 1998-04-08 CN disclosed
EP-0820976-A1 FLUORINE-SUBSTITUTED LIQUID-CRYSTAL COMPOUND, LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 1998-01-28 EP disclosed
EP-0808825-A1 PHENYL BENZOATE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORPORATION (JP) 1997-11-26 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 (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-11046651-B2 Piperazine substituted azapine derivatives and uses thereof HTR2A, HTR5A, HTR2C RARB 1486/4885RARA 2088/4885RARG 1589/4885
US-20210114989-A1 PIPERAZINE SUBSTITUTED AZAPINE DERIVATIVES AND USES THEREOF HTR2A, HTR5A, HTR2C RARB 1486/4885RARA 2088/4885RARG 1589/4885

“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.