SCHEMBL12859693

SCHEMBL12859693

CCN1CCC2=C(C1)c1ccccc1C2

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 7/20 0.58
▸ SETD7 Q8WTS6 1/20 0.48
▸ DRD1 P21728 2/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ ACHE P22303 1/20 0.44
▸ DRD2 P14416 2/20 0.43
▸ DRD4 P21917 1/20 0.43

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
SCHEMBL17035450 0.88 SIGMAR1 (0.74) SIGMAR1SETD7DRD1CHRM2HTR1A
Hydrochloric Acid SCHEMBL10734704 0.79 DRD1 (0.58) SIGMAR1SETD7DRD1CHRM2HTR1A
SCHEMBL12355565 0.79 DRD1 (0.73) SIGMAR1SETD7DRD1CHRM2HTR1A
SCHEMBL7376361 0.74 SIGMAR1 (1.00) SIGMAR1DRD1CHRM2HTR1AADRA2A
SCHEMBL153999 0.72 MAOA (0.57) DRD1HTR1ADRD3DRD2
SCHEMBL31841937 0.72 MAOA (0.57) DRD1HTR1ADRD3DRD2
SCHEMBL175086 0.69 DRD2 (0.64) SETD7DRD1DRD3DRD2DRD4
SCHEMBL13663060 0.69 DRD1 (0.73) SIGMAR1SETD7DRD1CHRM2HTR1A
SCHEMBL23706996 0.67 DRD3 (0.78) SETD7DRD1CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL11486011 0.67 PNMT (0.49) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046145-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2011-02-24 — — US 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-20110046145-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, OPRL1 SIGMAR1 36/4885SETD7 3644/4885DRD1 249/4885

“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.

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