SCHEMBL7804157

SCHEMBL7804157

CC(C)NC(=O)O[C@@H](CNC(=O)OC(N)=O)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.39
ADRB1 P08588 3/20 0.39
AVPR2 P30518 3/20 0.37
AVPR1A P37288 3/20 0.37
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CXCL8 P10145 1/20 0.35
CNR1 P21554 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
OPRM1 P35372 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
ADRB3 P13945 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL8198317 0.88 AVPR2 (0.38) ADRB2ADRB1AVPR2AVPR1AATM
SCHEMBL7465101 0.88 AVPR2 (0.44) ADRB2ADRB1AVPR2AVPR1AATM
SCHEMBL7467171 0.88 AVPR2 (0.44) ADRB2ADRB1AVPR2AVPR1AATM
SCHEMBL7476504 0.88 AVPR2 (0.44) ADRB2ADRB1AVPR2AVPR1AATM
SCHEMBL7796205 0.82 KMT2A (0.43) AVPR2AVPR1ACNR1OPRM1KMT2A
SCHEMBL7470205 0.77 ADRB1 (0.50) ADRB2ADRB1ATMSMN1; SMN2LMNA
SCHEMBL2904416 0.77 ADRB1 (0.50) ADRB2ADRB1ATMSMN1; SMN2LMNA
SCHEMBL7465481 0.77 ADRB1 (0.50) ADRB2ADRB1ATMSMN1; SMN2LMNA
SCHEMBL4602555 0.74 RAB9A (0.34) AVPR2AVPR1ASMN1; SMN2LMNAMAPT
SCHEMBL7464065 0.74 RAB9A (0.34) AVPR2AVPR1ASMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010034365-A1 Halogen substituted carbamate compounds from 2-phenyl-1,2-ethanediol CHOI YONG MOON (US) 2001-10-25 US disclosed
US-6127412-A TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM, ESPECIALLY AS ANTICONVULSANTS, ANTIEPILEPTIC AND NEUROPROTECTIVE AGENTS AND CENTRALLY ACTING MUSCLE RELAXANTS SK CORPORATION (US) 2000-10-03 US disclosed
US-6103759-A COMPRISING PURE ENANTIOMERIC FORMS, AS WELL AS ENANTIOMERIC MIXTURES, OF (2-(2-CHLOROPHENYL)-2-HYDROXYETHYL)OXYCARBOXAMIDE; USEFUL FOR TRATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS SK CORPORATION (US) 2000-08-15 US 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-20010034365-A1 Halogen substituted carbamate compounds from 2-phenyl-1,2-ethanediol DDT, GRIK2, GABRD ADRB2 1524/4885ADRB1 2339/4885AVPR2 375/4885

“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.