SCHEMBL3601452

SCHEMBL3601452

Cc1cc2c(N3CCC(CCO)CC3)ccc(C#N)c2o1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
CSF1R P07333 3/20 0.36
FFAR4 Q5NUL3 2/20 0.36
AR P10275 6/20 0.35
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
CHRM4 P08173 3/20 0.34
PDE5A O76074 2/20 0.33

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
SCHEMBL3604916 0.81 AR (0.37) SMN1; SMN2CSF1RARCHRM4
SCHEMBL3611354 0.77 AR (0.61) AR
SCHEMBL4235450 0.74 AR (0.38) SMN1; SMN2CSF1RFFAR4ARCHRM4
SCHEMBL5858257 0.73 GAA (0.48) SMN1; SMN2CSF1RFFAR4ARPIK3CA
SCHEMBL7527672 0.73 CHRM4 (0.53) SMN1; SMN2CSF1RCHRM4
SCHEMBL3596465 0.72 AR (0.62) AR
SCHEMBL3600268 0.71 AR (0.55) AR
SCHEMBL3605320 0.71 AR (0.58) AR
SCHEMBL3608355 0.68 AR (0.34) ARCHRM4PDE5A
SCHEMBL2955013 0.68 AR (0.66) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-20100056567-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS PETERS DAN 2010-03-04 US disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20090042857-A1 Novel Pharmaceutical TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-12 US disclosed
EP-1987827-A1 NOVEL PHARMACEUTICAL Takeda Pharmaceutical Company Limited (JP) 2008-11-05 EP disclosed
US-20070232659-A1 Novel Alkyl Substituted Piperidine Derivatives as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2007-10-04 US disclosed
EP-1761518-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-03-14 EP disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
WO-2005123715-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2005-12-29 WO disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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 (4 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 SMN1; SMN2 4057/4885CSF1R 1090/4885FFAR4 550/4885
US-20090042857-A1 Novel Pharmaceutical AR, NR5A1, NR5A2 SMN1; SMN2 3200/4885CSF1R 684/4885FFAR4 227/4885
US-20100056567-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 SMN1; SMN2 1893/4885CSF1R 2847/4885FFAR4 1546/4885
US-20070232659-A1 Novel Alkyl Substituted Piperidine Derivatives as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC18A3 SMN1; SMN2 1893/4885CSF1R 2847/4885FFAR4 1546/4885

“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.