SCHEMBL3604648

SCHEMBL3604648

CC1(C)CC(Oc2ccc(Cl)cn2)CC(C)(C)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
FPR2 P25090 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
MMP1 P03956 1/20 0.39
HTT P42858 1/20 0.38
IP6K1 Q92551 1/20 0.38
GAA P10253 1/20 0.36
CSF1R P07333 1/20 0.33
FLT3 P36888 1/20 0.33
CACNB4 O00305 1/20 0.33
CACNA1A O00555 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNG3 O60359 1/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNB3 P54284 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNG7 P62955 1/20 0.33
CACNA1B Q00975 1/20 0.33

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 SCHEMBL3599938 0.98 KCNH2 (0.41) KCNH2SMN1; SMN2FPR2PROKR1MMP1
SCHEMBL31401100 0.82 KCNH2 (0.42) KCNH2SMN1; SMN2HTTGAACSF1R
SCHEMBL31239617 0.82 ATR (0.38) KCNH2FPR2PROKR1MMP1IP6K1
SCHEMBL15476588 0.77 KCNH2 (0.48) KCNH2SMN1; SMN2HTTGAACSF1R
SCHEMBL30843204 0.77 FPR2 (0.49) KCNH2FPR2PROKR1MMP1IP6K1
SCHEMBL3608823 0.76 LMNA (0.42) SMN1; SMN2IP6K1
SCHEMBL1471253 0.76 SLC6A4 (0.49) FPR2PROKR1GAACSF1RFLT3
Hydrochloric Acid SCHEMBL3608765 0.75 LMNA (0.41) SMN1; SMN2IP6K1
Hydrochloric Acid SCHEMBL1471517 0.74 SLC6A4 (0.47) FPR2PROKR1GAACSF1RFLT3
Hydrochloric Acid SCHEMBL28674299 0.74 SLC6A4 (0.45)

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 KCNH2 784/4885SMN1; SMN2 1893/4885FPR2 2819/4885
US-20070232659-A1 Novel Alkyl Substituted Piperidine Derivatives as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC18A3 KCNH2 784/4885SMN1; SMN2 1893/4885FPR2 2819/4885

“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.