SCHEMBL7034304

SCHEMBL7034304

O=[N+]([O-])c1c(NCCCC2CC2)ccnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.43
KAT2B Q92831 1/20 0.36
MAPT P10636 3/20 0.36
ACP1 P24666 3/20 0.35
CCR1 P32246 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
CUL4A Q13619 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32

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
SCHEMBL4737704 0.84 PTGER4 (0.60) PTGER4
SCHEMBL4001406 0.80 KAT2B (0.38) KAT2BMAPTCCR1ALDH1A1SMN1; SMN2
SCHEMBL13242139 0.78 KAT2B (0.40) PTGER4KAT2BMAPTALDH1A1SMN1; SMN2
SCHEMBL2552457 0.75 ALDH1A1 (0.50) PTGER4MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL1742856 0.74 MAPT (0.39) KAT2BMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL1742858 0.74 MAPT (0.39) KAT2BMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL7029096 0.73 PTGER4 (0.39) PTGER4KAT2BMAPTACP1ALDH1A1
SCHEMBL6817813 0.73 PRKCQ (0.39) PTGER4MAPTACP1ALDH1A1SMN1; SMN2
SCHEMBL28908277 0.72 KMT2A (0.53) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2572082 0.71 HTT (0.50) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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-6642230-B2 Administering novel compounds which bind to corticotropin releasing factor receptors, thereby altering anxiogenic effects of CRF secretion BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-11-04 US disclosed
US-20030114468-A1 Imidazopyrimidines and imidazopyridines for the treatment of neurological disorders WILDE RICHARD GERALD (US) 2003-06-19 US disclosed
US-6362180-B1 ANTAGONIST TO CORTICOTROPIN RELEASING FACTOR BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-03-26 US disclosed
US-6143743-A TREATMENT OF NERVOUS SYSTEM DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-11-07 US disclosed
EP-0994877-A1 IMIDAZOPYRIMIDINES AND IMIDAZOPYRIDINES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Du Pont Pharmaceuticals Company (US) 2000-04-26 EP disclosed
WO-1999001454-A1 IMIDAZOPYRIMIDINES AND IMIDAZOPYRIDINES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS DU PONT PHARMACEUTICALS COMPANY (US) 1999-01-14 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-20030114468-A1 Imidazopyrimidines and imidazopyridines for the treatment of neurological disorders CRH, CRHR1, CRHR2 PTGER4 47/4885KAT2B 4607/4885MAPT 1128/4885

“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.