SCHEMBL7247381

SCHEMBL7247381

ClCc1cc(Cc2ccccc2)ccn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.46
IDH1 O75874 1/20 0.41
LTA4H P09960 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
NR3C2 P08235 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
CXCR3 P49682 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HNF4A P41235 1/20 0.36
PKM P14618 1/20 0.36
KDM5A P29375 1/20 0.35
KDM2B Q8NHM5 1/20 0.35

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
SCHEMBL5117845 0.81 CALM1 (0.46) CALM1IDH1LTA4HALDH1A1TAAR1
SCHEMBL11630184 0.81 CALM1 (0.46) CALM1IDH1LTA4HTAAR1NR3C2
SCHEMBL511705 0.79 LOXL2 (0.40)
SCHEMBL24349558 0.78 RECQL (0.57) CALM1IDH1LTA4HALDH1A1TAAR1
SCHEMBL4992030 0.78 CALM1 (0.52) CALM1IDH1LTA4HALDH1A1TAAR1
SCHEMBL1932255 0.75 ALOX5 (0.50) ALDH1A1L3MBTL1
SCHEMBL6854720 0.74 CALM1 (0.48) CALM1IDH1LTA4HTAAR1CYP11B1
SCHEMBL11159847 0.74 CALM1 (0.48) CALM1IDH1LTA4HTAAR1CYP11B1
SCHEMBL1600990 0.74 NOS3 (0.57) CALM1IDH1LTA4HALDH1A1TAAR1
SCHEMBL6949849 0.74 LOXL2 (0.57) CALM1IDH1LTA4HTAAR1CYP11B1

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-20200040025-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY 2020-02-06 US disclosed
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 (3 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 CALM1 1094/4885IDH1 2724/4885LTA4H 2820/4885
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 CALM1 1094/4885IDH1 2724/4885LTA4H 2820/4885
US-20200040025-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE P2RY6, UPP1, UMPS CALM1 1612/4885IDH1 3340/4885LTA4H 1280/4885

“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.