SCHEMBL1105924

SCHEMBL1105924

CCCN1CCC(CN[C@H](C)c2cccc3ccccc23)C(c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASR P41180 13/20 0.47
DRD2 P14416 3/20 0.43
SLC6A4 P31645 1/20 0.43
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL1105869 0.92 CASR (0.47) CASRDRD2SLC6A4DRD1DRD4
SCHEMBL1105930 0.90 CCR5 (0.47) CASRDRD4
SCHEMBL1106042 0.89 CASR (0.45) CASRDRD2SLC6A4DRD4DRD3
SCHEMBL1105901 0.89 CASR (0.45) CASR
SCHEMBL1106044 0.87 ACHE (0.46) CASR
SCHEMBL1105911 0.87 ACKR3 (0.46) CASRDRD4
SCHEMBL1106040 0.86 CASR (0.47) CASR
SCHEMBL1106065 0.85 CASR (0.43) CASR
SCHEMBL1105953 0.85 CASR (0.42) CASRDRD2DRD4
SCHEMBL1148131 0.84 CASR (0.44) CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 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-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 CASR 1/4885DRD2 451/4885SLC6A4 868/4885

“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.