SCHEMBL3604835

SCHEMBL3604835

CC1(C)CC(Nc2nccc3ccccc23)CC(C)(C)N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
RAD52 P43351 1/20 0.47
GFER P55789 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KCNH2 Q12809 2/20 0.44
HCRTR2 O43614 2/20 0.43
HCRTR1 O43613 1/20 0.43
GRM4 Q14833 4/20 0.42
UTS2R Q9UKP6 1/20 0.40
KDM4E B2RXH2 2/20 0.40
KDM1A O60341 1/20 0.40
GAA P10253 1/20 0.40
CYP2A6 P11509 1/20 0.39

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
SCHEMBL8960634 0.79 KDM4E (0.54) KMT2ALMNAALDH1A1MEN1MAPT
SCHEMBL7127434 0.79 UTS2R (0.55) KMT2AALDH1A1MEN1ALOX15HCRTR2
SCHEMBL30614565 0.79 UTS2R (0.55) KMT2AALDH1A1MEN1ALOX15HCRTR2
SCHEMBL28010382 0.77 KCNH2 (0.61) KMT2ALMNAALDH1A1MEN1MAPT
SCHEMBL31098949 0.76 KDM4E (0.59) KMT2AMEN1GRM4UTS2RKDM4E
SCHEMBL31098977 0.76 KDM4E (0.54) HCRTR2HCRTR1GRM4UTS2RKDM4E
SCHEMBL8960711 0.76 ALDH1A1 (0.54) KMT2ALMNAALDH1A1MEN1MAPT
SCHEMBL2417594 0.75 BRD4 (0.52) KMT2ALMNAALDH1A1MEN1MAPT
SCHEMBL31098961 0.75 KDM4E (0.57) GRM4UTS2RKDM4EGAA
SCHEMBL3606002 0.74 ALDH1A1 (0.46) KMT2ALMNAALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101812056-A The piperidine derivative that replaces as the novel alkyl of monoamine neurotransmitter re-uptake NERVENFORSCHUNG GMBH 2010-08-25 CN claimed
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
CN-1960985-A Novel alkyl substituted piperidine derivatives as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH AS (DK) 2007-05-09 CN 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
CN-101812056-A The piperidine derivative that replaces as the novel alkyl of monoamine neurotransmitter re-uptake NERVENFORSCHUNG GMBH 2010-08-25 CN 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
CN-1960985-A Novel alkyl substituted piperidine derivatives as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH AS (DK) 2007-05-09 CN 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 (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-20100056567-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 KMT2A 1410/4885LMNA 4255/4885ALDH1A1 630/4885
US-20070232659-A1 Novel Alkyl Substituted Piperidine Derivatives as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC18A3 KMT2A 1410/4885LMNA 4255/4885ALDH1A1 630/4885

“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.