SCHEMBL4313455

SCHEMBL4313455

O=C(CCCN1CCC(O)CC1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.69
ADRA1D P25100 1/20 0.69
ADRA1B P35368 1/20 0.69
DRD2 P14416 4/20 0.62
SIGMAR1 Q99720 1/20 0.61
HTR2A P28223 2/20 0.60
HTR1A P08908 2/20 0.58
DRD3 P35462 2/20 0.58
SLC6A4 P31645 1/20 0.58
HTR7 P34969 1/20 0.58
HRH1 P35367 1/20 0.58
HTR2B P41595 1/20 0.58
CYP2J2 P51589 2/20 0.57
MEN1 O00255 1/20 0.57
CHRM2 P08172 1/20 0.57
ADRA2A P08913 1/20 0.57
DRD1 P21728 1/20 0.57
OPRM1 P35372 1/20 0.57
KMT2A Q03164 1/20 0.57
KCNH2 Q12809 1/20 0.57

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
SCHEMBL7393089 0.94 ADRA1D (0.62) ADRA1AADRA1DADRA1BDRD2SIGMAR1
SCHEMBL17549666 0.91 SIGMAR1 (0.73) ADRA1AADRA1DADRA1BSIGMAR1HTR1A
SCHEMBL20254428 0.85 MEN1 (0.78) ADRA1ADRD2HTR2AHTR1ADRD3
SCHEMBL13925152 0.85 ADRA1A (0.58) ADRA1AADRA1DADRA1BDRD2HTR1A
Hydrochloric Acid SCHEMBL11635528 0.85 ADRA1D (0.66) ADRA1AADRA1DADRA1BDRD2SIGMAR1
Hydrochloric Acid SCHEMBL30658979 0.84 MEN1 (0.76) ADRA1ADRD2HTR2AHTR1ADRD3
SCHEMBL11372803 0.84 ADRA1A (0.64) ADRA1AADRA1DADRA1BDRD2SIGMAR1
SCHEMBL11402919 0.84 ADRA1A (0.64) ADRA1AADRA1DADRA1BDRD2SIGMAR1
SCHEMBL9050713 0.83 CCR3 (0.66) ADRA1AADRA1DADRA1BSIGMAR1
SCHEMBL10603564 0.83 ALDH1A1 (0.81) ADRA1AADRA1DADRA1BDRD2HTR2A

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
US-7498443-B2 Process for production of carebastine ALBANY MOLECULAR RESEARCH, INC. (US) 2009-03-03 US claimed
US-20030144319-A1 Subtype-selective NMDA receptor ligands and the use thereof BIGGE CHRISTOPHER F (US) 2003-07-31 US disclosed
US-6534522-B2 E.g.,N-((4-amino-3-nitrophenoxy)ethyl)-1,2,3,4-tetrahydro -isoquinoline; stroke; antiischemic agents; CNS trauma, hyperglycemic agents; surgery; neurodegenerative diseases including Alzheimer's disease, amyotrophic lateral sclerosis WARNER-LAMBERT COMPANY 2003-03-18 US disclosed
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof BIGGE CHRISTOPHER F (US) 2001-12-13 US disclosed
US-6218404-B1 THERAPY AND PROPHYLAXIS OF NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CNS TRAUMA, HYPOGLYCEMIA AND SURGERY, NEURO-DEGENERATIVE DISEASES INCLUDING ALZHEIMER'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, HUNTINGTON'S DISEASE WARNER-LAMBERT CO. 2001-04-17 US disclosed
WO-1997023458-A1 SUBTYPE-SELECTIVE NMDA RECEPTOR LIGANDS AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1997-07-03 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-20030144319-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 ADRA1A 161/4885ADRA1D 199/4885ADRA1B 348/4885
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 ADRA1A 161/4885ADRA1D 199/4885ADRA1B 348/4885

“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.