SCHEMBL6179972

SCHEMBL6179972

O=C(Cl)C1COCC(=O)N1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.57
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
EHMT2 Q96KQ7 1/20 0.41
AGTR2 P50052 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CAPN1 P07384 1/20 0.39
CYP2C9 P11712 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
SCHEMBL6179978 1.00 P2RX7 (0.57) P2RX7TSHRCYP2C19CYP3A4MEN1
SCHEMBL311394 0.90 P2RX7 (0.58) P2RX7TSHRCYP2C19CYP3A4MEN1
SCHEMBL1190522 0.90 P2RX7 (0.58) P2RX7TSHRCYP2C19CYP3A4MEN1
SCHEMBL1005866 0.90 P2RX7 (0.58) P2RX7TSHRCYP2C19CYP3A4MEN1
SCHEMBL3333492 0.87 P2RX7 (0.56) P2RX7CYP2C19MEN1KMT2AEHMT2
SCHEMBL10215490 0.87 P2RX7 (0.56) P2RX7MEN1KMT2AEHMT2HCRTR1
SCHEMBL10270030 0.85 P2RX7 (0.57) P2RX7CYP3A4MEN1KMT2AHCRTR1
SCHEMBL3337871 0.85 P2RX7 (0.57) P2RX7CYP3A4MEN1KMT2AHCRTR1
SCHEMBL1189916 0.84 P2RX7 (0.53) P2RX7TSHRCYP2C19MEN1KMT2A
SCHEMBL2907566 0.84 P2RX7 (0.53) P2RX7TSHRCYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943160-B2 Morpholine derivatives as antagonists of orexin receptors SMITHKLINE BEECHAM PLC (GB) 2005-09-13 US disclosed
EP-1353918-B1 MORPHOLINE DERIVATIVES AS ANTAGONISTS OF OREXIN RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2005-01-12 EP disclosed
US-20040058921-A1 Morpholine derivatives as antagonists of orexin receptors SMITHKLINE BEECHAM PLC (GB) 2004-03-25 US disclosed
EP-1353918-A1 MORPHOLINE DERIVATIVES AS ANTAGONISTS OF OREXIN RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-10-22 EP disclosed
WO-2002044172-A1 MORPHOLINE DERIVATIVES AS ANTAGONISTS OF OREXIN RECEPTORS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-06 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-20040058921-A1 Morpholine derivatives as antagonists of orexin receptors HCRTR2, HCRTR1, OXTR P2RX7 317/4885TSHR 191/4885CYP2C19 2299/4885

“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.