SCHEMBL1105904

SCHEMBL1105904

C[C@@H](NCC1CCN(Cc2ccc(F)cc2)CC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CCR5 P51681 2/20 0.41
SLC18A3 Q16572 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
ROCK2 O75116 1/20 0.39
CCR2 P41597 1/20 0.39
ROCK1 Q13464 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
SCHEMBL1105965 0.93 CASR (0.42) CASRBCHEACHEBACE1SLC6A4
SCHEMBL1105953 0.92 CASR (0.42) CASRCCR5
SCHEMBL1105911 0.92 ACKR3 (0.46) CASRBCHEACHEBACE1CCR5
SCHEMBL1105976 0.91 CASR (0.42) CASRBCHEACHEBACE1CCR5
SCHEMBL1106069 0.89 CASR (0.41) CASRCCR5
SCHEMBL1105907 0.89 DRD4 (0.46) CASRACHEBACE1SIGMAR1ROCK2
SCHEMBL1105978 0.89 CASR (0.49) CASRSLC6A4
SCHEMBL1105981 0.89 ACHE (0.43) CASRACHESIGMAR1
SCHEMBL1105917 0.88 CCR5 (0.46) CASRCCR5SIGMAR1ROCK2CCR2
SCHEMBL1106067 0.87 CASR (0.42) CASRACHE

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 1/4885BCHE 3797/4885ACHE 4094/4885

“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.