SCHEMBL733712

SCHEMBL733712

OCCc1c[nH]c2ccc(Br)cc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.71
TRPM8 Q7Z2W7 1/20 0.71
GPR84 Q9NQS5 1/20 0.69
HTR2C P28335 4/20 0.68
SLC6A4 P31645 4/20 0.61
MTNR1A P48039 1/20 0.61
MTNR1B P49286 1/20 0.61
CYP2D6 P10635 2/20 0.60
HTR1A P08908 7/20 0.60
CSNK2A1 P68400 1/20 0.59
HTR2B P41595 3/20 0.57
HTR1D P28221 2/20 0.57
HTR1B P28222 2/20 0.57
HTR1E P28566 2/20 0.57
HTR7 P34969 2/20 0.57
DRD3 P35462 2/20 0.57
HTR5A P47898 2/20 0.57
HTR6 P50406 2/20 0.57
ADRA2A P08913 1/20 0.57
DRD2 P14416 1/20 0.57

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
SCHEMBL29444443 1.00 HTR2A (0.71) HTR2ATRPM8GPR84HTR2CSLC6A4
SCHEMBL8261013 0.90 SLC6A4 (0.67) HTR2ATRPM8GPR84HTR2CSLC6A4
SCHEMBL5430044 0.89 HTR2A (0.80) HTR2ATRPM8GPR84HTR2CSLC6A4
SCHEMBL4227663 0.86 CHRNB2 (0.65) HTR2ATRPM8GPR84HTR2CSLC6A4
SCHEMBL1920230 0.86 GPR84 (0.73) HTR2ATRPM8GPR84HTR2CSLC6A4
SCHEMBL6640808 0.84 HTR2A (0.73) HTR2ATRPM8GPR84HTR2CSLC6A4
SCHEMBL13715518 0.83 HTR2A (0.71) HTR2ATRPM8GPR84HTR2CSLC6A4
SCHEMBL29791683 0.83 HTR2A (1.00) HTR2ATRPM8GPR84HTR2CSLC6A4
SCHEMBL28116971 0.83 HTR2A (0.71) HTR2ATRPM8GPR84HTR2CSLC6A4
SCHEMBL1520598 0.83 HTR2A (1.00) HTR2ATRPM8GPR84HTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110643032-B Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2022-01-28 CN claimed
CN-110643032-A Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2020-01-03 CN claimed
EP-3573960-B1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2023-08-16 EP disclosed
EP-3573960-B1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2023-08-16 EP disclosed
CN-114057759-B Fused tetracyclic derivative, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2023-05-16 CN disclosed
US-20220162219-A1 Chiral Bisamino-Ether Compounds, And Method of Preparation and Use Thereof UNIV JINAN (CN) 2022-05-26 US disclosed
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 US disclosed
CN-114057759-A Condensed tetracyclic derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-02-18 CN disclosed
CN-110643032-B Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2022-01-28 CN disclosed
US-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases GENFIT (FR) 2021-07-06 US disclosed
US-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases GENFIT (FR) 2021-07-06 US disclosed
US-5776967-A ANTIINFLAMMATORY AGENTS; THERAPY FOR ARTHRITIC DISORDERS, COLORECTAL CANCER AND ALZHEIMER'S DISEASE AMERICAN HOME PRODUCTS CORPORATION (US) 1998-07-07 US disclosed
WO-1998004527-A1 PYRANOINDOLE AND CARBAZOLE INHIBITORS OF COX-2 AMERICAN HOME PRODUCTS CORPORATION (US) 1998-02-05 WO disclosed
EP-0532088-B1 O-Heteroaryl, O-alkylheteroaryl, O-alkenylheteroaryl and O-alkynylheteroaryl macrolides MERCK & CO INC (US) 1996-12-04 EP disclosed
US-5349061-A O-heteroaryl, O-alkylheteroaryl, O-alkenylheteroaryl and O-alkynylheteroarylmacrolides having immunosuppressive activity MERCK & CO., INC. (US) 1994-09-20 US disclosed
US-5310901-A Autoimmune diseases; antiinflammatory agents; fungicides; prevention of organ transplant rejection; alkylation and/or arylation at C-42 MERCK & CO., INC. (US) 1994-05-10 US disclosed
US-5252732-A D-heteroaryl, O-alkylheteroaryl, O-alkenylheteroaryl and O-alkynylheteroarylmacrolides having immunosuppressive activity MERCK & CO., INC. (US) 1993-10-12 US disclosed
WO-1993005058-A1 O-HETEROARYL, O-ALKYLHETEROARYL, O-ALKENYLHETEROARYL AND O-ALKYNYLHETEROARYLMACROLIDES MERCK & CO., INC. (US) 1993-03-18 WO disclosed
EP-0532088-A1 O-Heteroaryl, O-alkylheteroaryl, O-alkenylheteroaryl and O-alkynylheteroaryl macrolides MERCK & CO. INC. (US) 1993-03-17 EP disclosed
EP-0187619-A2 1,3-Disubstituted tetrahydropyridines CIBA-GEIGY AG (CH) 1986-07-16 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 (3 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-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases RORA, RORC, RORB HTR2A 2851/4885TRPM8 2050/4885GPR84 54/4885
US-20220162219-A1 Chiral Bisamino-Ether Compounds, And Method of Preparation and Use Thereof FHIT, BCAT1, BCAT2 HTR2A 2377/4885TRPM8 3901/4885GPR84 1112/4885
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 HTR2A 4486/4885TRPM8 4602/4885GPR84 2965/4885

“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.