SCHEMBL14089987

SCHEMBL14089987

CN1CC2(C1)CN(CCc1ccccc1)C2

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.53
SIGMAR1 Q99720 1/20 0.52
ACHE P22303 1/20 0.50
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47

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
SCHEMBL14089988 0.83 MC4R (0.58) SIGMAR1ACHE
SCHEMBL422176 0.75 SIGMAR1 (0.76) SLC6A3SIGMAR1ACHEHTR1ADRD2
SCHEMBL9851609 0.74 CYP2D6 (0.58)
SCHEMBL6897743 0.73 SLC6A3 (0.68) SLC6A3SIGMAR1ACHEHTR1ADRD2
SCHEMBL14407778 0.73 SLC6A3 (0.83) SLC6A3SIGMAR1ACHEHTR1ADRD2
SCHEMBL7264546 0.73 SLC6A3 (0.83) SLC6A3SIGMAR1ACHEHTR1ADRD2
SCHEMBL6056974 0.73 SLC6A3 (0.83) SLC6A3SIGMAR1ACHEHTR1ADRD2
SCHEMBL13150782 0.73 SLC6A3 (0.83) SLC6A3SIGMAR1ACHEHTR1ADRD2
SCHEMBL27671990 0.73 SLC6A3 (0.52) SLC6A3SIGMAR1HTR1ADRD2
SCHEMBL21650852 0.72 SIGMAR1 (0.61) SLC6A3SIGMAR1ACHEHTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 SLC6A3 4823/4885SIGMAR1 4395/4885ACHE 4426/4885

“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.