SCHEMBL952712

SCHEMBL952712

N#CCc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
USP30 Q70CQ3 2/20 0.41
P2RX7 Q99572 1/20 0.38
PDE2A O00408 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
KIF11 P52732 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
BACE1 P56817 1/20 0.35
POLQ O75417 1/20 0.35
MPL P40238 1/20 0.34
CTSS P25774 1/20 0.34
HTR2A P28223 2/20 0.34
SLC6A4 P31645 2/20 0.34
KCNH2 Q12809 2/20 0.34
DAO P14920 1/20 0.34

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
SCHEMBL29492592 1.00 IDO1 (0.53) IDO1USP30P2RX7PDE2APTGDR2
SCHEMBL30970519 0.85 IDO1 (0.53) IDO1PDE2APTGDR2KIF11RXRA
SCHEMBL195125 0.85 IDO1 (0.53) IDO1PDE2APTGDR2KIF11RXRA
SCHEMBL18978864 0.83 IDO1 (0.54) IDO1USP30P2RX7PDE2ACA1
SCHEMBL24147012 0.81 CES2 (0.42) IDO1KIF11RXRARXRBRXRG
SCHEMBL6902387 0.80 RXRA (0.40) IDO1PDE2AKIF11RXRARXRB
SCHEMBL3827787 0.80 IDO1 (0.37) IDO1KIF11RXRARXRBRXRG
SCHEMBL18602316 0.80 IDO1 (0.40) IDO1KIF11RXRARXRBRXRG
SCHEMBL24146760 0.80 AR (0.44) IDO1KIF11CTSSSLC6A4
SCHEMBL7886912 0.80 PIEZO1 (0.41) IDO1KIF11RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1740146-A Prepn process of 2-fluoro-5-trifluoromethyl benzyl cyanide DALIAN LUYUAN PHARMACEUTICAL I (CN) 2006-03-01 CN claimed
US-20240034717-A1 NOVEL POTASSIUM CHANNEL INHIBITORS SANIONA A/S (DK) 2024-02-01 US disclosed
EP-4217065-A1 NOVEL POTASSIUM CHANNEL INHIBITORS Saniona A/S (DK) 2023-08-02 EP disclosed
CN-116368112-A Novel potassium channel inhibitors 萨尼奥纳有限责任公司 2023-06-30 CN disclosed
CN-1993323-B Indole, indazole or indoline derivatives HOFFMANN LA ROCHE 2011-04-20 CN disclosed
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 US disclosed
CN-101374516-A Use of substituted 2-imidazole of imidazoline derivatives HOFFMANN LA ROCHE (CH) 2009-02-25 CN disclosed
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-7388006-B2 Non-steroidal progesting BAYER SCHERING PHARMA AG (DE) 2008-06-17 US disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
CN-1740146-A Prepn process of 2-fluoro-5-trifluoromethyl benzyl cyanide DALIAN LUYUAN PHARMACEUTICAL I (CN) 2006-03-01 CN disclosed
CN-1740146-A Prepn process of 2-fluoro-5-trifluoromethyl benzyl cyanide DALIAN LUYUAN PHARMACEUTICAL I (CN) 2006-03-01 CN disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO disclosed
EP-1482925-A1 5-(2-HYDROXY-3-'1-(3-TRIFLUOROMETHYLPHENYL)-CYCLOPROPL!-PROPIONYLAMINO)-PHTALIDE AND RELATED COMPOUNDS WITH PROGESTERONE RECEPTOR MODULATING ACTIVITY FOR USE IN FERTILITY CONTROL AND HORMONE REPLACEMENT THERAPY Schering AG (DE) 2004-12-08 EP disclosed
US-20030232824-A1 Non-steroidal progesting SCHERING AG (DE) 2003-12-18 US disclosed
WO-2003075915-A1 5-}2-HYDROXY-3-`1-(3-TRIFLUOROMETHYLPHENYL)-CYCLOPROPYL!-PROPIONYLAMINO}- PHTALIDE AND RELATED COMPOUNDS WITH PROGESTERONE RECEPTOR MODULATING ACTIVITY FOR USE IN FERTILITY CONTROL AND HORMONE REPLACEMENT THERAPY SCHERING AG (DE) 2003-09-18 WO disclosed
EP-1344776-A1 5- 2-hydroxy-3-[1-(3-trifluoromethylphenyl)-cyclopropyl]-propionylamino -phtalide and 6- 2-hydroxy-3-[1-(3-trifluoromethylphenyl)-cyclopropyl]-propionylamino -4-methyl-2,3-benzoxazin-1-one derivatives with progesterone receptor modulating activity for use in fertility control, hormone replacement therapy and the treatment of gynecological disorders Schering Aktiengesellschaft (DE) 2003-09-17 EP disclosed
US-6528657-B2 For use in electroluminescence light emission element and can emit lights of various colors when an energy such as electric energy or electromagnetic energy is applied thereto TAIHO INDUSTRIES CO., LTD. (JP) 2003-03-04 US disclosed
US-20030023099-A1 Novel fluorescent carbazole derivative HIROSE ENGINEERING CO., LTD. (JP) 2003-01-30 US 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 (5 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP IDO1 7/4885USP30 3982/4885P2RX7 2099/4885
US-20030232824-A1 Non-steroidal progesting PGR, NR5A1, GPER1 IDO1 3857/4885USP30 2254/4885P2RX7 3002/4885
US-20240034717-A1 NOVEL POTASSIUM CHANNEL INHIBITORS KCNN2, KCNJ2, KCNN1 IDO1 4521/4885USP30 2786/4885P2RX7 245/4885
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B IDO1 54/4885USP30 3977/4885P2RX7 935/4885
US-20030023099-A1 Novel fluorescent carbazole derivative CBR3, AANAT, SIRT3 IDO1 289/4885USP30 2130/4885P2RX7 1354/4885

“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.