SCHEMBL1023489

SCHEMBL1023489

C1=C(c2ccc3ccccc3c2)CC2CCC1N2

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.54
CHRNA4 P43681 3/20 0.54
SLC6A3 Q01959 2/20 0.54
P2RY14 Q15391 1/20 0.43
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
HTR1A P08908 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 SCHEMBL1025419 0.98 CHRNB2 (0.52) CHRNB2CHRNA4SLC6A3P2RY14CCNT1
Cadaverine Tartrate SCHEMBL1023809 0.88 P2RY14 (0.45) CHRNB2CHRNA4SLC6A3P2RY14HTR1A
Cadaverine Tartrate SCHEMBL1023808 0.88 P2RY14 (0.45) CHRNB2CHRNA4SLC6A3P2RY14HTR1A
SCHEMBL1023383 0.85 CHRNB2 (0.48) CHRNB2CHRNA4P2RY14
SCHEMBL1023384 0.85 CHRNB2 (0.48) CHRNB2CHRNA4P2RY14
Hydrochloric Acid SCHEMBL1072684 0.84 CHRNB2 (0.47) CHRNB2CHRNA4P2RY14
SCHEMBL1022337 0.83 CHRNB2 (0.52) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL1022339 0.83 CHRNB2 (0.52) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL2881954 0.80 CHRNB2 (0.67) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL12093045 0.80 CHRNB2 (0.67) CHRNB2CHRNA4P2RY14CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272847-A1 Enantiomers and their use as monoamine neurotransmitter re-uptake inhibitors NeuroSearch A/S (DK) 2011-01-12 EP claimed
US-20090137625-A1 Novel Enantiomers and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2009-05-28 US claimed
EP-1869033-A1 NOVEL ENANTIOMERS AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-12-26 EP claimed
WO-2006108789-A1 NOVEL ENANTIOMERS AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2006-10-19 WO claimed
EP-2272847-A1 Enantiomers and their use as monoamine neurotransmitter re-uptake inhibitors NeuroSearch A/S (DK) 2011-01-12 EP disclosed
US-20090137625-A1 Novel Enantiomers and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2009-05-28 US disclosed
EP-1869033-A1 NOVEL ENANTIOMERS AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-12-26 EP disclosed
WO-2006108789-A1 NOVEL ENANTIOMERS AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2006-10-19 WO disclosed
EP-1390364-B1 ARYL-8-AZABICYCLO 3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2004-09-29 EP disclosed
EP-1390364-A1 ARYL-8-AZABICYCLO 3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION Wyeth (US) 2004-02-25 EP disclosed
US-6632824-B2 Have the ability to act at the 5-HT transporter. WYETH 2003-10-14 US disclosed
US-20030032645-A1 Aryl-8-azabicyclo [3.2.1] octanes for the treatment of depression WYETH 2003-02-13 US disclosed
WO-2002096906-A1 ARYL-8-AZABICYCLO[3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION WYETH (US) 2002-12-05 WO disclosed
US-6107307-A PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY (US) 2000-08-22 US disclosed
EP-0969005-A1 Azabicyclic inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 2000-01-05 EP 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-20030032645-A1 Aryl-8-azabicyclo [3.2.1] octanes for the treatment of depression HTR1A, HTR1D, HTR2C CHRNB2 79/4885CHRNA4 63/4885SLC6A3 353/4885
US-20090137625-A1 Novel Enantiomers and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC6A3 CHRNB2 90/4885CHRNA4 129/4885SLC6A3 3/4885

“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.