SCHEMBL217306

SCHEMBL217306

CN1CCc2c[c]ccc2CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.48
DRD1 P21728 9/20 0.48
DRD5 P21918 9/20 0.48
DRD3 P35462 7/20 0.48
DRD4 P21917 6/20 0.48
MAOA P21397 3/20 0.48
MAOB P27338 3/20 0.48
SETD7 Q8WTS6 2/20 0.39
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL578027 0.94 MAOA (0.59) DRD2DRD1DRD5DRD3DRD4
SCHEMBL218196 0.92 MAOA (0.55) DRD2DRD1DRD5DRD3DRD4
SCHEMBL214352 0.83 MAOA (0.46) DRD2DRD1DRD5DRD3DRD4
SCHEMBL3979789 0.81
SCHEMBL216450 0.80 MAOA (0.42) DRD2DRD1DRD5DRD3DRD4
SCHEMBL1949908 0.77 DRD2 (0.38) DRD2DRD3CYP2D6
SCHEMBL28597675 0.77 HTR7 (0.40) DRD2DRD3MAOAMAOB
SCHEMBL1953052 0.77 MEN1 (0.36) CYP2D6
SCHEMBL23306 0.77
SCHEMBL22225 0.77 TSHR (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
EP-2168966-B1 BICYCLOANILINE DERIVATIVE MSD KK (JP) 2016-09-28 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
US-8436004-B2 Bicycloaniline derivative MSD K.K. (JP) 2013-05-07 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-20110135601-A1 BICYCLOANILINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. 2011-06-09 US disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO disclosed
EP-2168966-A1 BICYCLOANILINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-03-31 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 (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-20110135601-A1 BICYCLOANILINE DERIVATIVE WEE1, WEE2, CCNK DRD2 3153/4885DRD1 2577/4885DRD5 3759/4885
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK DRD2 4041/4885DRD1 3360/4885DRD5 4098/4885

“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.