SCHEMBL3392856

SCHEMBL3392856

CCNc1ccc(Br)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
MAPT P10636 4/20 0.39
ADRA2A P08913 3/20 0.38
LMNA P02545 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EGFR P00533 2/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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 SCHEMBL3398761 0.98 ABL1 (0.42) ABL1MAPTADRA2ALMNAADRA2B
SCHEMBL8292659 0.83 RAB9A (0.53) MAPTLMNAALDH1A1KDM4EPOLB
SCHEMBL3398743 0.81 ABL1 (0.65) ABL1MAPTADRA2ALMNAADRA2B
SCHEMBL3397804 0.81 MEN1 (0.54) ABL1MAPTLMNAALDH1A1HPGD
SCHEMBL16966569 0.81 ABL1 (0.44) ABL1MAPTADRA2ALMNAADRA2B
SCHEMBL8292658 0.81 ABL1 (0.40) ABL1MAPTADRA2ALMNAADRA2B
Hydrochloric Acid SCHEMBL3396043 0.79 ABL1 (0.63) ABL1MAPTADRA2ALMNAADRA2B
Hydrochloric Acid SCHEMBL3399141 0.79 MEN1 (0.53) ABL1MAPTLMNAALDH1A1HPGD
SCHEMBL20969730 0.78 L3MBTL1 (0.54) MAPTLMNAALDH1A1KDM4ECASP1
SCHEMBL27261405 0.78 ALDH1A1 (0.51) MAPTALDH1A1KDM4ECASP1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-03-03 US claimed
EP-2245011-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-11-03 EP claimed
WO-2009090173-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-07-23 WO claimed
US-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-03-03 US disclosed
EP-2245011-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-11-03 EP disclosed
WO-2009090173-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-07-23 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 (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-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 ABL1 976/4885MAPT 670/4885ADRA2A 69/4885

“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.