SCHEMBL3598674

SCHEMBL3598674

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.45
ALDH1A1 P00352 6/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 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
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
JAK1 P23458 1/20 0.42
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38

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 SCHEMBL27661329 0.89 RAB9A (0.41) KCNH2ALDH1A1LMNAMEN1MAPT
SCHEMBL3606699 0.81 KCNH2 (0.45) KCNH2ALDH1A1LMNAMEN1MAPT
SCHEMBL21410369 0.79 ALDH1A1 (0.42) KCNH2ALDH1A1LMNAMEN1MAPT
SCHEMBL2147525 0.78 HCAR3 (0.56) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL29001707 0.77 FLT3 (0.47) ALDH1A1MEN1KMT2ATSHRRAB9A
SCHEMBL3602700 0.74 KCNH2 (0.50) KCNH2ALDH1A1LMNAMEN1MAPT
SCHEMBL28630509 0.73 HCAR3 (0.57) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL29849976 0.73 HCAR3 (0.57) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL23291733 0.73 ALDH1A1 (0.42) KCNH2ALDH1A1LMNAMEN1MAPT
SCHEMBL31149046 0.73 ALDH1A1 (0.47) KCNH2ALDH1A1LMNAMEN1MAPT

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
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-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 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 (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-20100048597-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 KCNH2 2117/4885ALDH1A1 119/4885LMNA 1314/4885
US-20100056567-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 KCNH2 784/4885ALDH1A1 630/4885LMNA 4255/4885
US-20070232659-A1 Novel Alkyl Substituted Piperidine Derivatives as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC18A3 KCNH2 784/4885ALDH1A1 630/4885LMNA 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.