SCHEMBL3606699

SCHEMBL3606699

CC1(C)CC(Nc2ccc(Cl)cn2)CC(C)(C)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.45
PTK2 Q05397 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
RAD52 P43351 1/20 0.44
GFER P55789 1/20 0.44
JAK1 P23458 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41

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
Fumaric Acid SCHEMBL27681077 0.89 PTK2 (0.43) KCNH2PTK2MEN1KMT2AALDH1A1
SCHEMBL3598674 0.81 KCNH2 (0.45) KCNH2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL23291733 0.79 ALDH1A1 (0.42) KCNH2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL15476238 0.78 KCNH2 (0.54) KCNH2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL29431695 0.78 KCNH2 (0.54) KCNH2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL15739537 0.78 HCAR3 (0.56) PTK2L3MBTL1RAB9ATDP1SMN1; SMN2
SCHEMBL3606980 0.77 KCNH2 (0.50) KCNH2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3593054 0.76 KMT2A (0.40) KCNH2MEN1KMT2AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL3600277 0.76 KCNH2 (0.49) KCNH2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL9070182 0.74 KCNH2 (0.47) KCNH2MEN1KMT2AALDH1A1L3MBTL1

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
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 KCNH2 784/4885PTK2 3999/4885MEN1 2286/4885
US-20070232659-A1 Novel Alkyl Substituted Piperidine Derivatives as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC18A3 KCNH2 784/4885PTK2 3999/4885MEN1 2286/4885

“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.