SCHEMBL1022339

SCHEMBL1022339

COc1ccc2cc(C3=CC4CCC(C3)N4)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.52
CHRNA4 P43681 3/20 0.52
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
FDFT1 P37268 1/20 0.42
GSTP1 P09211 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
P2RY14 Q15391 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39

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
SCHEMBL1022337 1.00 CHRNB2 (0.52) CHRNB2CHRNA4HSD17B1HSD17B2FDFT1
Cadaverine Tartrate SCHEMBL1023377 0.89 CHRNB2 (0.43) CHRNB2CHRNA4HSD17B1HSD17B2P2RY14
Cadaverine Tartrate SCHEMBL1023378 0.89 CHRNB2 (0.43) CHRNB2CHRNA4HSD17B1HSD17B2P2RY14
SCHEMBL7805901 0.87 CHRNB2 (0.54) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL1023489 0.83 CHRNB2 (0.54) CHRNB2CHRNA4P2RY14CCNT1CDK9
Hydrochloric Acid SCHEMBL1025419 0.82 CHRNB2 (0.52) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL1023383 0.81 CHRNB2 (0.48) CHRNB2CHRNA4P2RY14
SCHEMBL1023384 0.81 CHRNB2 (0.48) CHRNB2CHRNA4P2RY14
Hydrochloric Acid SCHEMBL1072684 0.80 CHRNB2 (0.47) CHRNB2CHRNA4P2RY14
SCHEMBL2417457 0.79 CHRNB2 (0.42) CHRNB2CHRNA4CCNT1CDK9

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 13 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

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 63/4885HSD17B1 186/4885
US-20090137625-A1 Novel Enantiomers and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC6A3 CHRNB2 90/4885CHRNA4 129/4885HSD17B1 774/4885

“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.