SCHEMBL4935360

SCHEMBL4935360

C[C@@H]1CN[C@@H](C)CN1c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.44
HRH3 Q9Y5N1 2/20 0.40
SIGMAR1 Q99720 3/20 0.37
HTR2C P28335 4/20 0.36
HTR2B P41595 4/20 0.36
HTR2A P28223 2/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
WEE1 P30291 1/20 0.35
HDAC1 Q13547 1/20 0.34
ADRA2A P08913 1/20 0.33
PNMT P11086 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
PRKCI P41743 1/20 0.33
GHSR Q92847 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
SCHEMBL4935362 1.00 PIM1 (0.44) PIM1HRH3SIGMAR1HTR2CHTR2B
Fumaric Acid SCHEMBL27688988 0.87 PIM1 (0.37) PIM1HRH3SIGMAR1HTR2CHTR2B
SCHEMBL22542012 0.84 PIM1 (0.39) PIM1SIGMAR1HTR2CHTR2BHTR2A
SCHEMBL13808671 0.84 PIM1 (0.39) PIM1SIGMAR1HTR2CHTR2BHTR2A
SCHEMBL12916351 0.84 PIM1 (0.39) PIM1SIGMAR1HTR2CHTR2BHTR2A
SCHEMBL24028089 0.83 PIM1 (0.38) PIM1SIGMAR1HTR2CHTR2BHTR2A
SCHEMBL16853407 0.83 HDAC1 (0.39) PIM1SIGMAR1HTR2CHTR2BHTR2A
SCHEMBL4939560 0.83 PIM1 (0.38) PIM1SIGMAR1HTR2CHTR2BHTR2A
SCHEMBL4940851 0.83 WEE1 (0.41) PIM1SIGMAR1HTR2CHTR2BHTR2A
SCHEMBL11019668 0.83 PIM1 (0.38) PIM1SIGMAR1HTR2CHTR2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176856-A1 Novel Alkyl Substituted Piperidine Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2008-07-24 US claimed
EP-1761512-A1 NOVEL ALKYL SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-03-14 EP claimed
WO-2005123707-A1 NOVEL ALKYL SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2005-12-29 WO claimed
US-20080176856-A1 Novel Alkyl Substituted Piperidine Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2008-07-24 US 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 (1 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-20080176856-A1 Novel Alkyl Substituted Piperidine Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC18A3 PIM1 3725/4885HRH3 226/4885SIGMAR1 63/4885

“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.