SCHEMBL3593065

SCHEMBL3593065

CC1(C)CC(Nc2ccnc(Cl)c2)CC(C)(C)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
GFER P55789 2/20 0.49
PKM P14618 2/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
RAD52 P43351 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
KCNH2 Q12809 2/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
SMARCA2 P51531 2/20 0.38
SMARCA4 P51532 2/20 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
Hydrochloric Acid SCHEMBL3602905 0.99 KMT2A (0.48) KMT2AMEN1ALDH1A1LMNAGFER
SCHEMBL31496582 0.77 SMARCA2 (0.45) KMT2AMEN1ALDH1A1GFERL3MBTL1
SCHEMBL1471429 0.77 KMT2A (0.56) KMT2AMEN1ALDH1A1LMNAGFER
SCHEMBL4486846 0.77 KMT2A (0.42) KMT2AMEN1ALDH1A1LMNAGFER
Hydrochloric Acid SCHEMBL1472992 0.76 KMT2A (0.55) KMT2AMEN1ALDH1A1LMNAGFER
SCHEMBL7793247 0.76 KMT2A (0.59) KMT2AMEN1ALDH1A1LMNAGFER
SCHEMBL10780921 0.75 ALDH1A1 (0.77) KMT2AMEN1ALDH1A1LMNAGFER
SCHEMBL1470878 0.74 MEN1 (0.53) KMT2AMEN1ALDH1A1LMNAGFER
SCHEMBL19066170 0.74 MEN1 (0.51) KMT2AMEN1ALDH1A1GFERMAPT
SCHEMBL1470632 0.73 MEN1 (0.52) KMT2AMEN1ALDH1A1LMNAGFER

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
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-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 1410/4885MEN1 2286/4885ALDH1A1 630/4885
US-20070232659-A1 Novel Alkyl Substituted Piperidine Derivatives as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC18A3 KMT2A 1410/4885MEN1 2286/4885ALDH1A1 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.