SCHEMBL954085

SCHEMBL954085

FC(F)(F)c1cccc(C(F)(F)F)c1CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
P2RX7 Q99572 1/20 0.38
IDO1 P14902 2/20 0.38
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AXL P30530 1/20 0.35
KIF11 P52732 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CES1 P23141 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CA2 P00918 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOB P27338 1/20 0.33
PNMT P11086 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL488856 0.87 SLC6A2 (0.40) TAAR1P2RX7IDO1SMN1; SMN2
SCHEMBL29395789 0.87 SLC6A2 (0.40) TAAR1P2RX7IDO1SMN1; SMN2
SCHEMBL11537654 0.87 IDO1 (0.41) TAAR1P2RX7IDO1ALDH1A1POLB
SCHEMBL11520584 0.87 TAAR1 (0.39) TAAR1P2RX7IDO1ALDH1A1POLB
SCHEMBL25372761 0.85 TAAR1 (0.38) TAAR1P2RX7IDO1ALDH1A1TDP1
SCHEMBL29393476 0.85 P2RX7 (0.41) TAAR1P2RX7L3MBTL1SMN1; SMN2
SCHEMBL696040 0.85 P2RX7 (0.41) TAAR1P2RX7L3MBTL1SMN1; SMN2
SCHEMBL30723660 0.82 GABRA1 (0.42) TAAR1P2RX7IDO1POLBSMN1; SMN2
SCHEMBL2885303 0.81 HSD11B1 (0.42) ALDH1A1CES1HSD17B10
SCHEMBL25371546 0.80 MAPT (0.41) POLBTDP1L3MBTL1HTR2CSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2019-02-12 US disclosed
US-9421210-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-08-23 US disclosed
US-20160193160-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. 2016-07-07 US disclosed
US-9314467-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-04-19 US disclosed
US-20150238497-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-08-27 US disclosed
US-20150166495-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. 2015-06-18 US disclosed
US-20150166494-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. 2015-06-18 US disclosed
US-8653142-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-02-18 US disclosed
US-20130253064-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2013-09-26 US disclosed
US-8420863-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2013-04-16 US 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
EP-2076124-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. (US) 2009-07-02 US disclosed
EP-1718605-B1 PROCESSES FOR THE PREPARATION OF ARYL-AND HETEROARYL-ALKYLSULFONYL HALIDES WYETH CORP (US) 2009-06-17 EP disclosed
WO-2008131368-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2008-10-30 WO disclosed
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP 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
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
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
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 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 (8 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-20150166495-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 TAAR1 2715/4885P2RX7 3067/4885IDO1 3146/4885
US-20150166494-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 TAAR1 2715/4885P2RX7 3067/4885IDO1 3146/4885
US-20130253064-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 TAAR1 2715/4885P2RX7 3067/4885IDO1 3146/4885
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B TAAR1 117/4885P2RX7 935/4885IDO1 54/4885
US-20150238497-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 TAAR1 2715/4885P2RX7 3067/4885IDO1 3146/4885
US-20160193160-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 TAAR1 2715/4885P2RX7 3067/4885IDO1 3146/4885
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ALDH1A2, STARD3, TXNRD2 TAAR1 2715/4885P2RX7 3067/4885IDO1 3146/4885
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 TAAR1 2715/4885P2RX7 3067/4885IDO1 3146/4885

“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.