SCHEMBL5737641

SCHEMBL5737641

Cc1nn(-c2ccccc2)nc1CCO

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
LMNA P02545 3/20 0.49
PKM P14618 3/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
KAT2B Q92831 1/20 0.49
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
HPGD P15428 2/20 0.42
P2RX7 Q99572 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MPO P05164 2/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL201295 0.86 LMNA (0.51) KDM4ELMNAPKMADORA3ADORA2A
SCHEMBL12509518 0.84 KDM4E (0.47) KDM4ELMNAPKMADORA3ADORA2A
SCHEMBL28768998 0.83 KDM4E (0.46) KDM4ELMNAPKMADORA3ADORA2A
SCHEMBL12713296 0.80 KDM4E (0.49) KDM4ELMNAPKMADORA3ADORA2A
SCHEMBL14188816 0.80 MAPT (0.44) KDM4ELMNACYP3A4TSHRTP53
SCHEMBL10184561 0.79 KDM4E (0.43) KDM4ELMNAPKMADORA3ADORA2A
SCHEMBL203832 0.79 KDM4E (0.48) KDM4ELMNAPKMADORA3ADORA2A
SCHEMBL3507658 0.79 KDM4E (0.51) KDM4ELMNAPKMADORA3ADORA2A
SCHEMBL3520487 0.79 KDM4E (0.48) KDM4ELMNAPKMADORA3ADORA2A
SCHEMBL5324874 0.78 LMNA (0.55) KDM4ELMNAPKMADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507757-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-24 US disclosed
US-7507757-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-24 US disclosed
CN-1805943-A Alpha substituted carboxylic acid as PPAR modulators PFIZER (US) 2006-07-19 CN disclosed
EP-1615899-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACIDS AS PPAR MODULATORS PFIZER INC. (US) 2006-01-18 EP disclosed
US-20050234066-A1 Alpha substituted carboxylic acids AGOURON PHARMACEUTICALS, INC. 2005-10-20 US disclosed
US-20050187266-A1 Alpha substituted carboxylic acids PFIZER INC 2005-08-25 US disclosed
WO-2004092145-A1 ALPHA SUBSTITUTED CARBOXYLIC ACID AS PPAR MODULATORS PFIZER INC. (US) 2004-10-28 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-20050234066-A1 Alpha substituted carboxylic acids PPARG, PPARA, PPARD KDM4E 3007/4885LMNA 2903/4885PKM 2757/4885
US-20050187266-A1 Alpha substituted carboxylic acids PPARG, PPARA, PPARD KDM4E 3007/4885LMNA 2903/4885PKM 2757/4885

“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.