SCHEMBL7605599

SCHEMBL7605599

COC(=O)CC[C@H]1CC[C@@H](N)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
KLK7 P49862 1/20 0.37
EPHX2 P34913 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL6883317 1.00 TSHR (0.44) TSHRSMN1; SMN2SMYD3KDM4ELMNA
SCHEMBL6883320 1.00 TSHR (0.44) TSHRSMN1; SMN2SMYD3KDM4ELMNA
Hydrochloric Acid SCHEMBL1178608 0.98 TSHR (0.43) TSHRSMN1; SMN2SMYD3KDM4ELMNA
Hydrochloric Acid SCHEMBL1178095 0.98 TSHR (0.43) TSHRSMN1; SMN2SMYD3KDM4ELMNA
Hydrochloric Acid SCHEMBL1178094 0.98 TSHR (0.43) TSHRSMN1; SMN2SMYD3KDM4ELMNA
SCHEMBL698490 0.90
Hydrochloric Acid SCHEMBL14167163 0.88 TSHR (0.52) TSHRSMN1; SMN2KDM4ELMNAMEN1
SCHEMBL21481803 0.86 TSHR (0.45) TSHRSMYD3LMNAKMT2AEPHX2
Hydrochloric Acid SCHEMBL9231426 0.83 LMNA (0.46) TSHRSMN1; SMN2KDM4ELMNAMEN1
SCHEMBL22757319 0.82 TSHR (0.46) TSHRSMN1; SMN2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 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 (1 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-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF OTC, PC, HCAR2 TSHR 3706/4885SMN1; SMN2 3690/4885SMYD3 3649/4885

“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.