SCHEMBL3598677

SCHEMBL3598677

CC(C)(C)OC(=O)N1CCC(NC(=O)c2nc(Cl)cc(N3CCOCC3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC4 P56524 1/20 0.45
GPR119 Q8TDV5 3/20 0.45
USP30 Q70CQ3 2/20 0.44
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
PARP1 P09874 1/20 0.43
PIK3CA P42336 2/20 0.42
MTOR P42345 2/20 0.42
PIK3CG P48736 2/20 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
SCHEMBL3605038 0.83 USP2 (0.48) MAPTGPR119RECQLPIK3CAL3MBTL1
SCHEMBL23359965 0.83 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL29862718 0.83 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL14042944 0.80 CYP1A2 (0.45) MAPTCNR2ATRKMT2A
SCHEMBL29434915 0.78 PIK3CA (0.53) ALDH1A1KDM4EGAAMAPTPIK3CA
SCHEMBL3997637 0.78 PIK3CA (0.53) ALDH1A1KDM4EGAAMAPTPIK3CA
SCHEMBL18153347 0.78 PIK3CA (0.53) ALDH1A1KDM4EGAAMAPTPIK3CA
SCHEMBL3610408 0.78 RECQL (0.47) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL16094656 0.78 RAF1 (0.44) MAPTGPR119USP30RECQLPIK3CA
SCHEMBL1497394 0.76 SMN1; SMN2 (0.49) ALDH1A1LMNAMAPTTSHRGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056567-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS PETERS DAN 2010-03-04 US claimed
US-20070232659-A1 Novel Alkyl Substituted Piperidine Derivatives as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2007-10-04 US claimed
EP-1761518-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-03-14 EP claimed
WO-2005123715-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2005-12-29 WO claimed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100056567-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS PETERS DAN 2010-03-04 US 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
WO-2005123715-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2005-12-29 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 (3 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-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 ALDH1A1 1923/4885KDM4E 2765/4885LMNA 4801/4885
US-20100056567-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 ALDH1A1 630/4885KDM4E 946/4885LMNA 4255/4885
US-20070232659-A1 Novel Alkyl Substituted Piperidine Derivatives as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC18A3 ALDH1A1 630/4885KDM4E 946/4885LMNA 4255/4885

“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.