SCHEMBL7247553

SCHEMBL7247553

COc1ccc(C(=O)C2CCN(CCCO)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TSHR P16473 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 2/20 0.56
HRH3 Q9Y5N1 2/20 0.56
MAOB P27338 1/20 0.56
KDM2B Q8NHM5 1/20 0.56
HSD11B1 P28845 1/20 0.55
MGLL Q99685 1/20 0.55
SLC18A3 Q16572 2/20 0.55
KCNH2 Q12809 2/20 0.54
HRH2 P25021 1/20 0.53
HRH1 P35367 1/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL9227281 0.90 KCNH2 (0.64) POLBLMNASMN1; SMN2TSHRTDP1
SCHEMBL9227278 0.88 POLB (0.60) POLBLMNASMN1; SMN2TSHRTDP1
SCHEMBL18730260 0.83 POLB (0.68) POLBLMNASMN1; SMN2TSHRTDP1
SCHEMBL7246842 0.82 HTR2A (0.71) LMNASMN1; SMN2
SCHEMBL8621252 0.82 POLB (0.53) POLBLMNASMN1; SMN2TSHRTDP1
SCHEMBL7250766 0.82 KCNH2 (0.72) LMNAKCNH2KMT2AMEN1
SCHEMBL11103861 0.82 POLB (0.73) POLBLMNASMN1; SMN2TSHRTDP1
SCHEMBL14637558 0.81 LMNA (0.68) POLBLMNASMN1; SMN2TSHRTDP1
SCHEMBL10340077 0.81 HTR2A (0.76) SLC18A3KCNH2
Hydrochloric Acid SCHEMBL9649705 0.80 HTR2A (0.74) SLC18A3KCNH2

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-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 POLB 1897/4885LMNA 1213/4885SMN1; SMN2 274/4885
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 POLB 1897/4885LMNA 1213/4885SMN1; SMN2 274/4885

“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.