SCHEMBL6573882

SCHEMBL6573882

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)Oc1ccc(C2=CC3CCC(C2)N3)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
P2RY14 Q15391 1/20 0.40
CCNT1 O60563 3/20 0.31
CDK9 P50750 3/20 0.31

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
SCHEMBL6574854 0.85 CHRNB2 (0.48) CHRNB2CHRNA4P2RY14
SCHEMBL6573562 0.78 CHRNB2 (0.50) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL7805901 0.76 CHRNB2 (0.54) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL7214962 0.72 CHRNB2 (0.48) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL6574966 0.71 SLC6A2 (0.46)
SCHEMBL6214667 0.70 CHRNB2 (0.55) CHRNB2CHRNA4P2RY14
SCHEMBL2881954 0.70 CHRNB2 (0.67) CHRNB2CHRNA4P2RY14CCNT1CDK9
Hydrochloric Acid SCHEMBL1025419 0.65 CHRNB2 (0.52) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL1023384 0.64 CHRNB2 (0.48) CHRNB2CHRNA4P2RY14
Malonic Acid SCHEMBL5193946 0.64 P2RY14 (0.46) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149095-B1 NOVEL AZABICYCLO DERIVATIVES AND THEIR USE NEUROSEARCH AS (DK) 2004-01-21 EP claimed
US-6617459-B2 8-azabicyclo(3.2.1)oct-2-ene and 9-azabicyclo(3.3.1)non-2-ene derivatives; monoamine neurotransmitter and serotonine reuptake inhibitors; radionuclide-labeled derivatives for diagnosis and detection NEUROSEARCH A/S (DK) 2003-09-09 US claimed
US-20010047028-A1 Novel azabicyclo derivatives and their use ANIONA APS (DK) 2001-11-29 US claimed
EP-1149095-A1 NOVEL AZABICYCLO DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2001-10-31 EP claimed
WO-2000044746-A1 NOVEL AZABICYCLO DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2000-08-03 WO claimed
EP-1149095-B1 NOVEL AZABICYCLO DERIVATIVES AND THEIR USE NEUROSEARCH AS (DK) 2004-01-21 EP disclosed
US-6617459-B2 8-azabicyclo(3.2.1)oct-2-ene and 9-azabicyclo(3.3.1)non-2-ene derivatives; monoamine neurotransmitter and serotonine reuptake inhibitors; radionuclide-labeled derivatives for diagnosis and detection NEUROSEARCH A/S (DK) 2003-09-09 US disclosed
US-20010047028-A1 Novel azabicyclo derivatives and their use ANIONA APS (DK) 2001-11-29 US disclosed
EP-1149095-A1 NOVEL AZABICYCLO DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2001-10-31 EP disclosed
WO-2000044746-A1 NOVEL AZABICYCLO DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2000-08-03 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-20010047028-A1 Novel azabicyclo derivatives and their use TACR2, TACR3, GPR68 CHRNB2 66/4885CHRNA4 117/4885P2RY14 372/4885

“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.