SCHEMBL1472994

SCHEMBL1472994

CC1(C)CC(Oc2ccc(Cl)c(Cl)c2Cl)CC(C)(C)N1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.38
KMT2A Q03164 2/20 0.36
EZH2 Q15910 2/20 0.34
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
KCNH2 Q12809 1/20 0.32
SGK1 O00141 2/20 0.32

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 SCHEMBL1473152 0.98 IKBKB (0.38) IKBKBPOLBGAAKMT2AEZH2
SCHEMBL1472982 0.79 KMT2A (0.41) KMT2AMEN1SGK1
SCHEMBL1471426 0.79 MMP13 (0.43) KMT2AMEN1
Hydrochloric Acid SCHEMBL1471230 0.78 KMT2A (0.40) KMT2AMEN1SGK1
Hydrochloric Acid SCHEMBL1471477 0.78 MMP13 (0.42) KMT2AMEN1
SCHEMBL1471398 0.77 SCD (0.45) KMT2AEZH2
SCHEMBL1470890 0.77 LMNA (0.43) GAAKMT2AEZH2LMNAMEN1
Hydrochloric Acid SCHEMBL1470860 0.76 SCD (0.44) KMT2AEZH2
Hydrochloric Acid SCHEMBL1470850 0.75 LMNA (0.42) GAAKMT2AEZH2LMNAMEN1
SCHEMBL21163541 0.75 GAA (0.42) POLBGAAKMT2ALMNAMEN1

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-20090215820-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS ANIONA APS (DK) 2009-08-27 US claimed
US-7547788-B2 Alkyl substituted piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2009-06-16 US claimed
US-20070167487-A1 Novel alkyl substituted piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors ANIONA APS (DK) 2007-07-19 US claimed
EP-1761493-A2 ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-03-14 EP claimed
WO-2005123679-A2 ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2005-12-29 WO claimed
US-20110086880-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS PETERS DAN 2011-04-14 US disclosed
US-7915419-B2 Alkyl substituted piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-03-29 US disclosed
US-20090215820-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS ANIONA APS (DK) 2009-08-27 US disclosed
US-7547788-B2 Alkyl substituted piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2009-06-16 US disclosed
US-20070167487-A1 Novel alkyl substituted piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors ANIONA APS (DK) 2007-07-19 US disclosed
EP-1761493-A2 ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-03-14 EP disclosed
WO-2005123679-A2 ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE 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-20090215820-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 IKBKB 2707/4885POLB 1640/4885GAA 286/4885
US-20070167487-A1 Novel alkyl substituted piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors SLC18A2, SLC6A2, SLC18A3 IKBKB 2707/4885POLB 1640/4885GAA 286/4885
US-20110086880-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 IKBKB 2707/4885POLB 1640/4885GAA 286/4885

“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.