SCHEMBL6503113

SCHEMBL6503113

O=C1CC(C(=O)O)CCc2c(Cl)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.40
BCHE P06276 1/20 0.40
MAPT P10636 2/20 0.39
APAF1 O14727 1/20 0.39
NSD2 O96028 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
CASP3 P42574 1/20 0.39
RECQL P46063 1/20 0.39
GALK1 P51570 1/20 0.39
KMT2A Q03164 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
CYP1A2 P05177 1/20 0.39
KIF11 P52732 2/20 0.36
RORC P51449 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
SCHEMBL5354858 0.84 ACHE (0.43) MAPTCYP1A2AADAT
SCHEMBL6075654 0.84 DRD2 (0.39) NOTUMPOLBKMT2ACYP1A2RORC
SCHEMBL6075294 0.84 CYP1A2 (0.50) CYP1A2KIF11
SCHEMBL7031702 0.81 ALDH1A1 (0.43) CYP1A2
SCHEMBL6075690 0.80 CYP1A2 (0.56) MAPTPOLBCYP1A2RAB9A
SCHEMBL6499625 0.79 SPR (0.43) MAPTPOLBKMT2ARAB9A
SCHEMBL17443371 0.76 CYP1A2 (0.44) NOTUMKMT2ACYP1A2RAB9A
SCHEMBL6501529 0.76 HTR7 (0.46) MAPTAPAF1NSD2POLBTHRB
SCHEMBL29673104 0.73 MAPT (0.52) NOTUMBCHEMAPTNSD2POLB
SCHEMBL782694 0.73 MAPT (0.52) NOTUMBCHEMAPTNSD2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969724-B2 Compounds SMITHKLINE BEECHAM-SPA (GB) 2005-11-29 US disclosed
US-20040024218-A1 Novel compounds SMITHKLINE BEECHAM SPA 2004-02-05 US disclosed
EP-1129072-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS Smithkline Beecham S.p.A. (IT) 2001-09-05 EP disclosed
WO-2000027815-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS SMITHKLINE BEECHAM SPA (IT) 2000-05-18 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-20040024218-A1 Novel compounds OXER1, CLIC1, CCR1 NOTUM 1164/4885BCHE 3665/4885MAPT 4698/4885

“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.