SCHEMBL5922318

SCHEMBL5922318

Cc1c(C(=O)N2CCCCC2)cc(-c2ccccc2)n1-c1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.54
▸ NOTUM Q6P988 1/20 0.49
▸ SMPD1 P17405 1/20 0.48
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ CNR1 P21554 3/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ P2RX7 Q99572 1/20 0.44
▸ TSHR P16473 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MARS1 P56192 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42

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
SCHEMBL5922371 0.85 CHRNA7 (0.72) CHRNA7NOTUMCA1CA2CA9
SCHEMBL5922320 0.81 CA2 (0.62) CHRNA7NOTUMCA1CA2CA9
SCHEMBL5922321 0.80 CHRNA7 (0.54) CHRNA7CA1CA2CA9CNR1
SCHEMBL14478864 0.80 CA2 (0.64) CHRNA7NOTUMCA1CA2CA9
SCHEMBL5922354 0.76 CHRNA7 (0.61) CHRNA7CNR1CNR2NPC1RAB9A
SCHEMBL5922335 0.75 CA2 (0.58) CHRNA7CA1CA2CA9TSHR
SCHEMBL4484123 0.74 NOTUM (0.54) CHRNA7NOTUMCNR1CNR2MARS1
SCHEMBL3033793 0.72 CHRNA7 (0.98) CHRNA7CA1CA2CA9
Hydrochloric Acid SCHEMBL6614304 0.72 CNR1 (0.55) CHRNA7HTR2ACNR1CNR2
SCHEMBL29944105 0.71 MEN1 (0.62) P2RX7TSHRNPC1RAB9ACASP3

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-20060122230-A1 1,5-Diaryl-pyrrole-3-carboxamide derivatives and their use as cannabinoid receptor modulators ASTRAZENECA AB (SE) 2006-06-08 — — US claimed
US-20060198893-A1 Aqueous dispersion comprising stable nanoparticles of a water-insoluble pyrrole carboxamide and excipient like middle chain triglycerides ASTRAZENECA AB (SE) 2006-09-07 — — US disclosed
US-20060122230-A1 1,5-Diaryl-pyrrole-3-carboxamide derivatives and their use as cannabinoid receptor modulators ASTRAZENECA AB (SE) 2006-06-08 — — US disclosed
EP-1592404-A1 AQUEOUS DISPERSION COMPRISING STABLE NANOPARTICLES OF A WATER-INSOLUBLE PYRROLE CARBOXAMIDE AND AN EXCIPIENT LIKE MIDDLE CHAIN TRIGLYCERIDES AstraZeneca AB (SE) 2005-11-09 — — EP disclosed
WO-2004069227-A1 AQUEOUS DISPERSION COMPRISING STABLE NANOPARTICLES OF A WATER-INSOLUBLE PYRROLE CARBOXAMIDE AND EXCIPIENT LIKE MIDDLE CHAIN TRIGLYCERIDES ASTRAZENECA AB (SE) 2004-08-19 — — 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-20060198893-A1 Aqueous dispersion comprising stable nanoparticles of a water-insoluble pyrrole carboxamide and excipient like middle chain triglycerides CETP, PNLIP, LIPC CHRNA7 4278/4885NOTUM 19/4885SMPD1 396/4885
US-20060122230-A1 1,5-Diaryl-pyrrole-3-carboxamide derivatives and their use as cannabinoid receptor modulators CNR1, CNR2, GPR18 CHRNA7 146/4885NOTUM 2381/4885SMPD1 2906/4885

“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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