SCHEMBL7214949

SCHEMBL7214949

N#Cc1ccc(C2=CC3CCC(C2)N3)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.52
CHRNA4 P43681 4/20 0.52
P2RY14 Q15391 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
MMP3 P08254 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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 SCHEMBL18111494 0.79 CHRNB2 (0.54) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL6577750 0.76 P2RY14 (0.59) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL5194310 0.73 CHRNB2 (0.51) CHRNB2CHRNA4P2RY14SLC6A3
SCHEMBL5194296 0.73 CHRNB2 (0.51) CHRNB2CHRNA4P2RY14SLC6A3
SCHEMBL7210356 0.73 CHRNB2 (0.45) CHRNB2CHRNA4P2RY14
SCHEMBL6575446 0.73 CHRNB2 (0.45) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL7216173 0.70 CHRNB2 (0.68) CHRNB2CHRNA4P2RY14CCNT1CDK9
Malonic Acid SCHEMBL5193537 0.70 CHRNB2 (0.45) CHRNB2CHRNA4P2RY14SLC6A4SLC6A3
SCHEMBL34471162 0.70 SLC6A3 (0.55) SLC6A3HRH2HRH1HRH3MMP3
SCHEMBL1023383 0.70 CHRNB2 (0.48) CHRNB2CHRNA4P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.