SCHEMBL6069573

SCHEMBL6069573

O=[N+]([O-])c1cccc2c1c(Cl)nn2CCN1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.41
▸ BCHE P06276 4/20 0.41
▸ CNR1 P21554 4/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ LTA4H P09960 2/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL6070650 0.78 CNR2 (0.41) CNR2BCHECNR1SIGMAR1LTA4H
SCHEMBL6069287 0.76 MCHR1 (0.44) CNR2BCHECNR1SIGMAR1LTA4H
SCHEMBL6069740 0.75 ALDH1A1 (0.44) CNR2BCHECNR1SIGMAR1LTA4H
SCHEMBL6069615 0.74 CNR2 (0.58) CNR2BCHECNR1LTA4HPTGS1
SCHEMBL6069457 0.73 CNR1 (0.50) CNR2BCHECNR1SIGMAR1LTA4H
SCHEMBL10830950 0.71 BCHE (0.54) CNR2BCHECNR1SIGMAR1CYP1A2
SCHEMBL15312637 0.71 CSF1R (0.36) KDM4ERECQLRAB9AALDH1A1
SCHEMBL14910863 0.68 TDP1 (0.39) KMT2APOLBMAPTHTTRAB9A
SCHEMBL5860843 0.68 MCHR1 (0.43) SIGMAR1LTA4HPTGS1PTGS2MEN1
SCHEMBL5860813 0.67 MCHR1 (0.43) SIGMAR1LTA4HPTGS1PTGS2MEN1

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-7071182-B2 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES (US) 2006-07-04 — — US disclosed
US-20050277638-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBVIE INC. 2005-12-15 — — US disclosed
US-20050137243-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES 2005-06-23 — — 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 (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-20050137243-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R CNR2 1318/4885BCHE 1148/4885CNR1 763/4885
US-20050277638-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R CNR2 1318/4885BCHE 1148/4885CNR1 763/4885

“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.

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