SCHEMBL1449366

SCHEMBL1449366

CN1C2CCCCC1CNC2

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL701588 0.94 MAPK1 (0.46) HTR6MAPK1LMNACYP2C9
Hydrochloric Acid SCHEMBL274610 0.92 MAPK1 (0.44) HTR6MAPK1LMNACYP2C9
SCHEMBL12208387 0.88
SCHEMBL272039 0.88
SCHEMBL12029112 0.88
SCHEMBL16382274 0.88
Bromide SCHEMBL29867591 0.86 LMNA (0.42) HTR6MAPK1LMNACYP2C9
Hydrochloric Acid SCHEMBL9475384 0.86 LMNA (0.42) HTR6MAPK1LMNACYP2C9
Hydrochloric Acid SCHEMBL21378869 0.86 LMNA (0.42) HTR6MAPK1LMNACYP2C9
Hydrochloric Acid SCHEMBL841848 0.86 LMNA (0.42) HTR6MAPK1LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994156-B2 Carboxylic acid 4-phenylazo-phenyl ester derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-08-09 US disclosed
US-7910578-B2 8,10-diaza-bicyclo[4.3.1]decane derivatives and their medical use NEUROSEARCH A/S (DK) 2011-03-22 US disclosed
US-20100311699-A1 NOVEL CARBOXYLIC ACID 4-PHENYLAZO-PHENYL ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-12-09 US disclosed
EP-2225212-A1 NOVEL CARBOXYLIC ACID 4-PHENYLAZO-PHENYL ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-09-08 EP disclosed
WO-2009068595-A1 NOVEL CARBOXYLIC ACID 4-PHENYLAZO-PHENYL ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-06-04 WO disclosed
US-20090099153-A1 NOVEL 8,10-DIAZA-BICYCLO[4.3.1]DECANE DERIVATIVES AND THEIR MEDICAL USE ANIONA APS (DK) 2009-04-16 US disclosed
EP-2029607-A1 NOVEL 8,10-DIAZA-BICYCLOÝ4.3.1¨DECANE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2009-03-04 EP disclosed
WO-2007135121-A1 NOVEL 8,10-DIAZA-BICYCLO[4.3.1]DECANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-11-29 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-20100311699-A1 NOVEL CARBOXYLIC ACID 4-PHENYLAZO-PHENYL ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 HTR6 86/4885MAPK1 3093/4885LMNA 4464/4885
US-20090099153-A1 NOVEL 8,10-DIAZA-BICYCLO[4.3.1]DECANE DERIVATIVES AND THEIR MEDICAL USE CHRNA10, CHRNA7, CHRNA3 HTR6 311/4885MAPK1 768/4885LMNA 1886/4885

“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.