SCHEMBL1105967

SCHEMBL1105967

COc1ccc(CN2CCC(c3ccccc3)C(CN[C@H](C)c3cccc4ccccc34)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.46
SIGMAR1 Q99720 3/20 0.42
ROCK2 O75116 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ACHE P22303 2/20 0.41
BACE1 P56817 1/20 0.41
CASR P41180 2/20 0.41
DRD2 P14416 2/20 0.40
DRD3 P35462 1/20 0.39

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
SCHEMBL1105907 0.93 DRD4 (0.46) DRD4SIGMAR1ROCK2MEN1KMT2A
SCHEMBL1106032 0.92 CASR (0.45) DRD4CASR
SCHEMBL1105889 0.91 DRD4 (0.47) DRD4SIGMAR1MEN1KMT2ACASR
SCHEMBL1106035 0.90 ACKR3 (0.46) DRD4ROCK2MEN1KMT2AACHE
SCHEMBL1106062 0.90 CASR (0.42) DRD4MEN1KMT2ACASRDRD2
SCHEMBL1105965 0.89 CASR (0.42) SIGMAR1ROCK2ACHEBACE1CASR
SCHEMBL1105903 0.89 CASR (0.42) ACHEBACE1CASR
SCHEMBL1105896 0.89 ACHE (0.43) SIGMAR1KMT2AACHECASR
SCHEMBL1105920 0.88 CYP2D6 (0.51) DRD4MEN1KMT2AACHECASR
SCHEMBL1105972 0.88 CASR (0.49) CASRDRD2

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 DRD4 1475/4885SIGMAR1 433/4885ROCK2 4415/4885

“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.