SCHEMBL559898

SCHEMBL559898

N#Cc1ccc(OC(F)F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.48
CYP11B1 P15538 13/20 0.44
CYP11B2 P19099 13/20 0.44
SLC22A12 Q96S37 2/20 0.38
S1PR3 Q99500 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9062059 0.86 CYP11B1 (0.53) CYP11B1CYP11B2
SCHEMBL11963251 0.84 CYP11B1 (0.61) TRPV4CYP11B1CYP11B2SMN1; SMN2
SCHEMBL10535321 0.80 TRPV4 (0.55) TRPV4CYP11B1CYP11B2SLC22A12
SCHEMBL27192188 0.80 ALOX15 (0.39) LMNATSHRHTTSMN1; SMN2
SCHEMBL18621197 0.80 AR (0.45) S1PR3LMNATSHRHTTSMN1; SMN2
SCHEMBL26127201 0.80 AR (0.49) TRPV4CYP11B1CYP11B2S1PR3
SCHEMBL2337000 0.79 TRPV4 (0.40) TRPV4CYP11B1CYP11B2
SCHEMBL27655391 0.78 CYP11B1 (0.46) TRPV4CYP11B1CYP11B2
SCHEMBL19614563 0.78 CYP11B1 (0.46) TRPV4CYP11B1CYP11B2SMN1; SMN2
SCHEMBL28364202 0.78 TRPV4 (0.48) TRPV4CYP11B1CYP11B2

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
US-20260124204-A1 METALLOENZYME INHIBITOR COMPOUNDS EIKONIZO THERAPEUTICS, INC. (US) 2026-05-07 US disclosed
US-12370194-B2 Metalloenzyme inhibitor compounds EIKONIZO THERAPEUTICS, INC. (US) 2025-07-29 US disclosed
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND SHOUYAO HOLDINGS BEIJING CO LTD (CN) 2025-07-10 US disclosed
EP-4501912-A1 NOVEL HETEROCYCLIC COMPOUND Shouyao Holdings (Beijing) Co., Ltd. (CN) 2025-02-05 EP disclosed
US-20240307391-A1 METALLOENZYME INHIBITOR COMPOUNDS EIKONIZO THERAPEUTICS, INC. (US) 2024-09-19 US disclosed
CN-118475560-A Novel heterocyclic compound 首药控股(北京)股份有限公司 2024-08-09 CN disclosed
US-11938134-B2 Metalloenzyme inhibitor compounds EIKONIZO THERAPEUTICS, INC. (US) 2024-03-26 US disclosed
WO-2023185811-A1 NOVEL HETEROCYCLIC COMPOUND 首药控股(北京)股份有限公司 2023-10-05 WO disclosed
US-20220088018-A1 METALLOENZYME INHIBITOR COMPOUNDS EIKONIZO THERAPEUTICS, INC. (US) 2022-03-24 US disclosed
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 EP disclosed
EP-2493892-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2012-09-05 EP disclosed
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
CN-102066384-A Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL MYERS SQUIBB CO 2011-05-18 CN disclosed
WO-2011053292-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-05 WO disclosed
EP-2271650-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2011-01-12 EP disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 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 (10 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 TRPV4 1317/4885CYP11B1 2659/4885CYP11B2 2940/4885
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 TRPV4 1317/4885CYP11B1 2659/4885CYP11B2 2940/4885
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 TRPV4 1317/4885CYP11B1 2659/4885CYP11B2 2940/4885
US-20240307391-A1 METALLOENZYME INHIBITOR COMPOUNDS HDAC6, HDAC1, HDAC2 TRPV4 3777/4885CYP11B1 1348/4885CYP11B2 1651/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 TRPV4 1317/4885CYP11B1 2659/4885CYP11B2 2940/4885
US-20220088018-A1 METALLOENZYME INHIBITOR COMPOUNDS HDAC6, HDAC1, HDAC2 TRPV4 3777/4885CYP11B1 1348/4885CYP11B2 1651/4885
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND MAPT, MNAT1, MAT2A TRPV4 2728/4885CYP11B1 48/4885CYP11B2 9/4885
US-20260124204-A1 METALLOENZYME INHIBITOR COMPOUNDS HDAC6, HDAC3, HDAC1 TRPV4 4561/4885CYP11B1 910/4885CYP11B2 896/4885
US-11938134-B2 Metalloenzyme inhibitor compounds HDAC6, HDAC1, HDAC2 TRPV4 3777/4885CYP11B1 1348/4885CYP11B2 1651/4885
US-12370194-B2 Metalloenzyme inhibitor compounds HDAC6, HDAC1, HDAC2 TRPV4 3777/4885CYP11B1 1348/4885CYP11B2 1651/4885

“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.