SCHEMBL3563228

SCHEMBL3563228

CCOC(=O)c1cnc(C2CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.49
JUN P05412 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CSNK1D P48730 1/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
RAB9A P51151 2/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
FDFT1 P37268 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL30908327 0.94 CSNK1D (0.48) FOSJUNNFKB1NFKB2RELA
SCHEMBL21679201 0.91 FOS (0.44) FOSJUNNFKB1NFKB2RELA
SCHEMBL11072671 0.90 CYP2C9 (0.44) FOSJUNNFKB1NFKB2RELA
SCHEMBL11072669 0.90 CYP2C9 (0.44) FOSJUNNFKB1NFKB2RELA
SCHEMBL21679402 0.87 FOS (0.43) FOSJUNNFKB1NFKB2RELA
SCHEMBL20588963 0.82 HPGDS (0.52) FOSJUNNFKB1NFKB2RELA
SCHEMBL24933715 0.81 MAPK1 (0.49) FOSJUNNFKB1NFKB2RELA
SCHEMBL25953861 0.81 MAPK1 (0.49) FOSJUNNFKB1NFKB2RELA
SCHEMBL23094550 0.81 GPR119 (0.54) LMNAMAPTALDH1A1POLB
SCHEMBL25331810 0.80 CA12 (0.47) CYP2C9CYP2C19CA12CA1CA2

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
CN-111825654-A Phenylmethylene piperidine derivatives, preparation method, intermediates and uses thereof 北京酷瓴生物技术有限公司 2020-10-27 CN disclosed
WO-2020211836-A1 BENZENE PIPERIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF 北京酷瓴生物技术有限公司 2020-10-22 WO disclosed
WO-2020211836-A1 BENZENE PIPERIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF 北京酷瓴生物技术有限公司 2020-10-22 WO disclosed
EP-1557411-B1 N-PHENYL-(2R,5S)DIMETHYLPIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2012-10-17 EP disclosed
US-7666873-B2 N-phenyl-(2R,5S)dimethylpiperazine derivative ASTELLAS PHARMA INC. (JP) 2010-02-23 US disclosed
US-20080214543-A1 N-Phenyl-(2R,5S)Dimethylpiperazine Derivative ASTELLAS PHARMA INC. (JP) 2008-09-04 US disclosed
US-7297698-B2 N-phenyl-(2R,5S) dimethylpiperazine derivative ASTELLAS PHARMA INC. (JP) 2007-11-20 US disclosed
US-20050261303-A1 N-phenyl-(2r,5s) dimethylpiperadine derivative ASTELLAS PHARMA INC. (JP) 2005-11-24 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-20050261303-A1 N-phenyl-(2r,5s) dimethylpiperadine derivative BPHL, QDPR, SRD5A2 FOS 3285/4885JUN 2117/4885NFKB1 707/4885
US-20080214543-A1 N-Phenyl-(2R,5S)Dimethylpiperazine Derivative BPHL, AR, SRD5A2 FOS 3268/4885JUN 2028/4885NFKB1 792/4885

“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.