SCHEMBL3597440

SCHEMBL3597440

CC1(C)CC(Oc2ncccc2Cl)CC(C)(C)N1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.39
HTR1A P08908 6/20 0.39
SLC6A2 P23975 6/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 2/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
ROCK2 O75116 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EZH2 Q15910 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
SGK1 O00141 2/20 0.34

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 SCHEMBL3613636 0.99 IP6K1 (0.38) IP6K1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL3608823 0.78 LMNA (0.42) IP6K1LMNASMN1; SMN2
SCHEMBL16175277 0.77 MALT1 (0.45) IP6K1HTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3608765 0.77 LMNA (0.41) IP6K1LMNASMN1; SMN2
SCHEMBL366698 0.74 LRRK2 (0.43) IP6K1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL30352872 0.72 HTR1A (0.41) IP6K1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL23703021 0.72 HTR1A (0.61) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL16174937 0.72 SSTR4 (0.51) ROCK2
SCHEMBL5476116 0.72 HTR1A (0.61) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL29994798 0.72 HTR1A (0.61) HTR1ASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232659-A1 Novel Alkyl Substituted Piperidine Derivatives as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2007-10-04 US 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
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
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 IP6K1 2487/4885HTR1A 44/4885SLC6A2 2/4885
US-20070232659-A1 Novel Alkyl Substituted Piperidine Derivatives as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC18A3 IP6K1 2487/4885HTR1A 44/4885SLC6A2 2/4885

“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.