SCHEMBL541651

SCHEMBL541651

CN(C)CCCn1c2ccccc2c2cc(C=O)ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 5/20 0.64
▸ CNR2 P34972 2/20 0.56
▸ CYP2D6 P10635 1/20 0.55
▸ PIM1 P11309 1/20 0.53
▸ PIM3 Q86V86 1/20 0.53
▸ DRD3 P35462 2/20 0.48
▸ CHRM2 P08172 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ CHRM5 P08912 1/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ ADRA2B P18089 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ HRH2 P25021 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ AVPR2 P30518 1/20 0.47

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
SCHEMBL29907883 1.00 PTGER4 (0.64) PTGER4CNR2CYP2D6PIM1PIM3
SCHEMBL11829790 0.87 PTGER4 (0.72) PTGER4CNR2KDM4EPOLBPKM
SCHEMBL5119647 0.86 PTGER4 (0.70) PTGER4CNR2KDM4EPOLBPKM
SCHEMBL5660529 0.86 PTGER4 (0.70) PTGER4CNR2KDM4EPOLBPKM
SCHEMBL9019646 0.85 PTGER4 (0.69) PTGER4CNR2KDM4EPOLBPKM
SCHEMBL31201905 0.85 PTGER4 (0.69) PTGER4CNR2KDM4EPOLBPKM
SCHEMBL600436 0.84 PTGER4 (0.67) PTGER4CNR2
SCHEMBL16099314 0.83 PTGER4 (0.67) PTGER4CNR2KDM4EPOLBPKM
SCHEMBL541688 0.83 CYP2D6 (0.74) CNR2CYP2D6PIM1PIM3DRD3
SCHEMBL29907915 0.83 CYP2D6 (0.74) CNR2CYP2D6PIM1PIM3DRD3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509518-B1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC (US) 2012-02-08 — — EP disclosed
US-8080566-B1 Carbazole inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC (US) 2011-12-20 — — US disclosed
US-8080566-B1 Carbazole inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC (US) 2011-12-20 — — US disclosed
US-8080566-B1 Carbazole inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC (US) 2011-12-20 — — US disclosed
US-7176322-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-02-13 — — US disclosed
EP-1509518-A1 CALCIUM RECEPTOR MODULATING AGENTS Amgen, Inc. (US) 2005-03-02 — — EP disclosed
US-20040077619-A1 Calcium receptor modulating agents AMGEN INC. 2004-04-22 — — US disclosed
WO-2003099814-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN, INC. (US) 2003-12-04 — — 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-20040077619-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR PTGER4 365/4885CNR2 275/4885CYP2D6 4576/4885

“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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