SCHEMBL3259554

SCHEMBL3259554

C#CC1C(O)C2CCN1CC2.c1cc2cc-2c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRNA7 P36544 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
SLC18A3 Q16572 3/20 0.33
HRH3 Q9Y5N1 1/20 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
SCHEMBL8592641 0.83 SLC18A3 (0.39) KMT2ASLC18A3
SCHEMBL8712010 0.69 CYP1A1 (0.38) KMT2ASLC18A3HRH3
SCHEMBL8863923 0.65 CHRNA7 (0.58) CHRNA7SLC18A3
SCHEMBL8707234 0.62 HRH3 (0.37) HRH3
SCHEMBL8921096 0.61 ALDH1A1 (0.35) CHRNA7SLC18A3HRH3
SCHEMBL8574139 0.61 CHRNA7 (0.50) CHRNA7
SCHEMBL8923497 0.61 CNR1 (0.32) KMT2ASLC18A3
SCHEMBL9513647 0.59 ALOX5 (0.40) SLC18A3
SCHEMBL8864168 0.58 CHRNA7 (0.58) CHRNA7SLC18A3
SCHEMBL27716094 0.57

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-7667040-B2 Azacyclic ethynyl derivatives NEUROSEARCH A/S (DK) 2010-02-23 US disclosed
US-20080188519-A1 Novel azacyclic ethynyl derivatives ANIONA APS (DK) 2008-08-07 US disclosed
EP-1506205-B1 NOVEL AZACYCLIC ETHYNYL DERIVATIVES NEUROSEARCH AS (DK) 2008-07-16 EP disclosed
US-7378526-B2 Azacyclic ethynyl derivatives NEUROSEARCH A/S (DK) 2008-05-27 US disclosed
US-20050171078-A1 Novel azacyclic ethynyl derivatives NEUROSEARCH (DK) 2005-08-04 US disclosed
EP-1506205-A2 NOVEL AZACYCLIC ETHYNYL DERIVATIVES NEUROSEARCH A/S (DK) 2005-02-16 EP disclosed
WO-2003094830-A2 NOVEL AZACYCLIC ETHYNYL DERIVATIVES NEUROSEARCH A/S (DK) 2003-11-20 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-20050171078-A1 Novel azacyclic ethynyl derivatives CHRNA6, CHRNA5, CHRNA10 ALPL 3097/4885ALPI 2823/4885ALPG 3492/4885
US-20080188519-A1 Novel azacyclic ethynyl derivatives CHRNA6, CHRNA10, CHRNA5 ALPL 2739/4885ALPI 2454/4885ALPG 2930/4885

“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.