SCHEMBL13000679

SCHEMBL13000679

O=C1CC2(CCN(C3CCCCC3)CC2)c2cc(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HRH1 P35367 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MCHR1 Q99705 2/20 0.38
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36

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
SCHEMBL13001434 1.00 ALDH1A1 (0.40) ALDH1A1MEN1MAPK1KMT2AHRH1
SCHEMBL13000338 0.90 ALDH1A1 (0.40) ALDH1A1MEN1MAPK1KMT2AHRH1
SCHEMBL14580858 0.80 POLB (0.44) ALDH1A1MEN1MAPK1KMT2AKDM4E
SCHEMBL13000945 0.79 KDM4E (0.37) ALDH1A1MEN1KMT2AKDM4EHSD11B1
SCHEMBL13208602 0.77 GRIN2D (0.34) —
SCHEMBL13001093 0.76 CHRM1 (0.43) HTT
SCHEMBL12084270 0.73 DRD2 (0.43) ALDH1A1MEN1MAPK1KMT2AHRH1
SCHEMBL12084505 0.73 DRD2 (0.43) ALDH1A1MEN1MAPK1KMT2AHRH1
SCHEMBL12084436 0.73 DRD4 (0.40) ALDH1A1MEN1MAPK1KMT2AL3MBTL1
SCHEMBL2188488 0.73 PGR (0.40) DRD2

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
US-8367691-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-02-05 — — US disclosed
US-8367691-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-02-05 — — US disclosed
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 — — US disclosed
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 — — US disclosed
US-7786141-B2 Dihydrospiroindene modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 — — US disclosed
US-7786141-B2 Dihydrospiroindene modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 — — US disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 — — US disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 — — 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-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS CHRM3, CHRM5, CHRM2 ALDH1A1 2356/4885MEN1 2672/4885MAPK1 2911/4885
US-20070043023-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 ALDH1A1 2356/4885MEN1 2672/4885MAPK1 2911/4885

“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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