SCHEMBL12057635

SCHEMBL12057635

O=C(O)c1ccccc1NC(=O)[C@H]1CCCN1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
ABCC1 P33527 4/20 0.48
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
CTSC P53634 1/20 0.46
ROCK2 O75116 2/20 0.46
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL11785308 1.00 HDAC2 (0.48) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15694776 0.88 NPSR1 (0.52) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15694686 0.88 NPSR1 (0.52) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10522417 0.85 KDM4E (0.65) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL1294947 0.84 HDAC2 (0.60) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1294945 0.84 HDAC2 (0.60) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL7692266 0.82 HDAC2 (0.50) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL7692271 0.82 HDAC2 (0.50) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10327138 0.82 HDAC2 (0.64) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL13865080 0.82 HDAC2 (0.64) HDAC2HDAC3HDAC4HDAC1HDAC7

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
EP-2583963-A1 Proline analogs as ligands for cannabinoid receptors for the treatment of pain Purdue Pharma L.P. (US) 2013-04-24 EP disclosed
US-8084612-B2 Proline analogs as ligands for cannabinoid receptors PURDUE PHARMA L.P. (US) 2011-12-27 US disclosed
US-8084612-B2 Proline analogs as ligands for cannabinoid receptors PURDUE PHARMA L.P. (US) 2011-12-27 US disclosed
US-20090291947-A1 PROLINE ANALOGS AS LIGANDS FOR CANNABINOID RECEPTORS PURDUE PHARMA L.P. (US) 2009-11-26 US disclosed
US-20090291947-A1 PROLINE ANALOGS AS LIGANDS FOR CANNABINOID RECEPTORS PURDUE PHARMA L.P. (US) 2009-11-26 US disclosed
WO-2009087564-A1 PROLINE ANALOGS AS LIGANDS FOR CANNABINOID RECEPTORS FOR THE TREATMENT OF PAIN PURDUE PHARMA L.P. (DE) 2009-07-16 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-20090291947-A1 PROLINE ANALOGS AS LIGANDS FOR CANNABINOID RECEPTORS CNR1, CNR2, GPR18 HDAC2 3363/4885HDAC3 2378/4885HDAC4 3262/4885

“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.