SCHEMBL9986170

SCHEMBL9986170

C[C@H](N)c1ccc(C(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.56
PDE2A O00408 1/20 0.50
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
TRPV4 Q9HBA0 1/20 0.33
KIF11 P52732 1/20 0.33
CIT O14578 1/20 0.33
RECQL P46063 4/20 0.31
TDP1 Q9NUW8 4/20 0.31
KDM4E B2RXH2 4/20 0.31
MAPT P10636 3/20 0.31
LMNA P02545 3/20 0.31
HIF1A Q16665 2/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31

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
SCHEMBL22206215 1.00 ADRB2 (0.56) ADRB2PDE2AROCK2ROCK1TRPV4
SCHEMBL20811568 1.00 ADRB2 (0.56) ADRB2PDE2AROCK2ROCK1TRPV4
Hydrochloric Acid SCHEMBL20791188 0.97 ADRB2 (0.54) ADRB2PDE2AROCK2ROCK1TRPV4
Hydrochloric Acid SCHEMBL20791190 0.97 ADRB2 (0.54) ADRB2PDE2AROCK2ROCK1TRPV4
SCHEMBL1314596 0.85 ADRB2 (0.72) ADRB2PDE2AROCK2ROCK1CIT
SCHEMBL28456091 0.79 ADRB2 (0.52) ADRB2PDE2AROCK2ROCK1CIT
SCHEMBL662302 0.78 PGK1 (0.38) TRPV4KIF11
SCHEMBL56723 0.78 ADRB2 (0.56) ADRB2PDE2AMAOAMAOB
SCHEMBL516801 0.78 ADRB2 (0.56) ADRB2PDE2AMAOAMAOB
SCHEMBL157927 0.78 ADRB2 (0.56) ADRB2PDE2AMAOAMAOB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240245691-A1 2-METHYLENE-4-OXO-BUTANOIC ACID DERIVATIVES FOR THE TREATMENT OF INFLAMMATION SITRYX THERAPEUTICS LIMITED (GB) 2024-07-25 US disclosed
EP-4330231-A1 2-METHYLENE-4-OXO-BUTANOIC ACID DRIVATIVES FOR THE TREATMENT OF INFLAMMATION Sitryx Therapeutics Limited (GB) 2024-03-06 EP disclosed
WO-2022229617-A1 2-METHYLENE-4-OXO-BUTANOIC ACID DRIVATIVES FOR THE TREATMENT OF INFLAMMATION SITRYX THERAPEUTICS LIMITED (GB) 2022-11-03 WO disclosed
EP-2585444-B1 AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
US-8765744-B2 Azaspirohexanones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
EP-2585444-A1 AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS Boehringer Ingelheim International GmbH (DE) 2013-05-01 EP disclosed
US-20120190675-A1 Azaspirohexanones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-26 US disclosed
WO-2011161128-A1 AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-29 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 (2 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-20240245691-A1 2-METHYLENE-4-OXO-BUTANOIC ACID DERIVATIVES FOR THE TREATMENT OF INFLAMMATION HCAR2, NFKBIA, TNF ADRB2 502/4885PDE2A 976/4885ROCK2 1114/4885
US-20120190675-A1 Azaspirohexanones HSD11B1, HSD3B1, HSD17B1 ADRB2 280/4885PDE2A 696/4885ROCK2 864/4885

“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.