SCHEMBL4430697

SCHEMBL4430697

Fc1cc(C(F)F)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.47
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
APP P05067 1/20 0.40
SLC6A2 P23975 9/20 0.40
SLC6A4 P31645 9/20 0.40
SLC6A3 Q01959 9/20 0.40
KCNH2 Q12809 3/20 0.40
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 4/20 0.38
CYP2D6 P10635 4/20 0.38
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 4/20 0.38
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL30271733 1.00 TRPV4 (0.47) TRPV4PSEN1PSEN2APH1BNCSTN
SCHEMBL531071 0.84 APP (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16955070 0.81 TRPV4 (0.52) TRPV4SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6100359 0.80 APP (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3978580 0.80 APP (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23011826 0.80 APP (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL957890 0.80 ADRB2 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16956706 0.80 APP (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL960516 0.80 ADRB2 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31611813 0.80 APP (0.44) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459927-B2 Plasma kallikrein inhibitors MERCK SHARP & DOHME LLC (US) 2025-11-04 US disclosed
EP-4210694-B1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-10-15 EP disclosed
US-12428421-B2 Pyrimidinones as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-30 US disclosed
US-12221441-B2 Plasma kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-02-11 US disclosed
EP-4477220-A2 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2024-12-18 EP disclosed
EP-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 EP disclosed
US-20230416227-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-12-28 US disclosed
US-20230391773-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-07 US disclosed
CN-116987080-A Macrocyclic compounds with heterocyclic P2' groups as factor XIA inhibitors 百时美施贵宝公司 2023-11-03 CN disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 US disclosed
WO-2015116882-A1 MACROCYCLIC FACTOR XIA INHIBITORS CONDENSED WITH HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 WO disclosed
CN-1867554-B Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors HOFFMANN LA ROCHE 2011-07-06 CN disclosed
US-7605163-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-20 US disclosed
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES JOLIDON SYNESE 2008-05-22 US disclosed
US-7319099-B2 Such as 1-{3-fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl benzoyl)-piperazin-1-yl]-phenyl}-ethanone for treatment of psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia, attention deficit disorders, or Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
EP-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed
CN-1867554-A Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors HOFFMANN LA ROCHE (CH) 2006-11-22 CN disclosed
EP-1656361-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US disclosed
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 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-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 TRPV4 480/4885PSEN1 100/4885PSEN2 115/4885
US-20230416227-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 TRPV4 1619/4885PSEN1 2752/4885PSEN2 3156/4885
US-12428421-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F2 TRPV4 3603/4885PSEN1 392/4885PSEN2 421/4885
US-12221441-B2 Plasma kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 TRPV4 3988/4885PSEN1 3279/4885PSEN2 3537/4885
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 TRPV4 3988/4885PSEN1 3279/4885PSEN2 3537/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 TRPV4 480/4885PSEN1 100/4885PSEN2 115/4885
US-12459927-B2 Plasma kallikrein inhibitors KLKB1, SERPINE1, KLK5 TRPV4 1619/4885PSEN1 2752/4885PSEN2 3156/4885
US-20230391773-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF KLKB1, KLK1, KLK5 TRPV4 3988/4885PSEN1 3279/4885PSEN2 3537/4885

“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.