SCHEMBL3398743

SCHEMBL3398743

CCNc1ccc(Cl)c(Br)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.65
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
CASP1 P29466 1/20 0.45
RECQL P46063 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CNR2 P34972 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
EGFR P00533 2/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38

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 SCHEMBL3396043 0.98 ABL1 (0.63) ABL1ALDH1A1HPGDKDM4EPOLB
SCHEMBL3397804 0.84 MEN1 (0.54) ABL1ALDH1A1HPGDKDM4EPOLB
Hydrochloric Acid SCHEMBL3399141 0.82 MEN1 (0.53) ABL1ALDH1A1HPGDKDM4EPOLB
SCHEMBL3392856 0.81 ABL1 (0.43) ABL1ALDH1A1HPGDKDM4EPOLB
SCHEMBL1799567 0.81 CYP3A4 (0.53) ABL1ALDH1A1HPGDKDM4EPOLB
Hydrochloric Acid SCHEMBL3399071 0.79 CYP3A4 (0.52) ABL1ALDH1A1HPGDKDM4EPOLB
Hydrochloric Acid SCHEMBL3398761 0.79 ABL1 (0.42) ABL1ALDH1A1HPGDKDM4EPOLB
SCHEMBL1800169 0.78 ALDH1A1 (0.46) ABL1ALDH1A1HPGDKDM4EPOLB
SCHEMBL3789837 0.78 ALDH1A1 (0.46) ABL1ALDH1A1HPGDKDM4EPOLB
SCHEMBL20714815 0.77 ABL1 (0.61) ABL1ALDH1A1HPGDCNR2LMNA

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-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
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 976/4885ALDH1A1 452/4885HPGD 1335/4885

“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.