SCHEMBL4178165

SCHEMBL4178165

CCOC1(CCN(C)C)c2ccccc2CCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.52
CYP2D6 P10635 3/20 0.47
MAPT P10636 4/20 0.38
HTR1A P08908 4/20 0.38
DRD2 P14416 4/20 0.38
KDM4E B2RXH2 4/20 0.38
SLC6A2 P23975 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CHRM2 P08172 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC22A1 O15245 2/20 0.38
CACNA1F O60840 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
CHRM1 P11229 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
CHRM3 P20309 2/20 0.38
DRD1 P21728 2/20 0.38

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
SCHEMBL8506563 0.79 CYP3A4 (0.38) LMNACYP2D6MAPTHTR1ADRD2
SCHEMBL8506068 0.77 CHRM2 (0.44) CYP2D6HTR1ADRD2ALDH1A1CHRM2
SCHEMBL7675371 0.74 LMNA (0.54) LMNACYP2D6MAPTHTR1ADRD2
SCHEMBL7675246 0.71 LMNA (0.54) LMNACYP2D6MAPTHTR1ADRD2
SCHEMBL7679060 0.71 LMNA (0.57) LMNACYP2D6MAPTHTR1ADRD2
SCHEMBL8507603 0.70 LMNA (0.64) LMNACYP2D6MAPTHTR1ADRD2
SCHEMBL8506196 0.70 LMNA (0.39) LMNACYP2D6HTR1ADRD2SLC6A2
SCHEMBL11252431 0.69 LMNA (1.00) LMNACYP2D6MAPTHTR1ADRD2
SCHEMBL19505755 0.68 MAPK1 (0.40) LMNAHTR1ADRD2CHRM2CHRM4
SCHEMBL25066219 0.68 LMNA (0.91) LMNACYP2D6MAPTHTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9326934-B2 Drug delivery from rapid gelling polymer composition ANGIOTECH INTERNATIONAL AG 2016-05-03 US disclosed
US-20120252905-A1 DRUG DELIVERY FROM RAPID GELLING POLYMER COMPOSITION ANGIOTECH INTERNATIONAL AG 2012-10-04 US disclosed
US-20090192214-A1 DRUG DELIVERY FROM RAPID GELLING POLYMER COMPOSITION ANGIOTECH INTERNATIONAL AG (CH) 2009-07-30 US disclosed
EP-0733035-B1 TRICYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORP (US) 1999-03-31 EP disclosed
EP-0733035-A1 TRICYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1996-09-25 EP disclosed
US-5538986-A INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA, DIBENZOCYCLOHEPTANE AND DIBENZOXEPINE DERIVATIVES SCHERING CORPORATION (US) 1996-07-23 US disclosed
WO-1995015939-A1 TRICYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1995-06-15 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-20120252905-A1 DRUG DELIVERY FROM RAPID GELLING POLYMER COMPOSITION PGF, VCAM1, COL14A1 LMNA 1945/4885CYP2D6 1593/4885MAPT 2217/4885
US-20090192214-A1 DRUG DELIVERY FROM RAPID GELLING POLYMER COMPOSITION PGF, VCAM1, COL14A1 LMNA 1945/4885CYP2D6 1593/4885MAPT 2217/4885

“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.