SCHEMBL1106062

SCHEMBL1106062

C[C@@H](NCC1CN(Cc2ccc(-c3ccccc3)cc2)CCC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 12/20 0.42
PPARG P37231 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
ACKR3 P25106 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
CCR5 P51681 1/20 0.38
HTT P42858 1/20 0.38
CYP2D6 P10635 1/20 0.37

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
SCHEMBL1106032 0.94 CASR (0.45) CASRACKR3DRD4CCR5HTT
SCHEMBL1105953 0.93 CASR (0.42) CASRPPARGMEN1POLBKMT2A
SCHEMBL1106035 0.93 ACKR3 (0.46) CASRMEN1KMT2AACKR3DRD4
SCHEMBL1105965 0.92 CASR (0.42) CASRCCR5
SCHEMBL1105903 0.92 CASR (0.42) CASRACKR3HTT
SCHEMBL1105972 0.90 CASR (0.49) CASRACKR3DRD2CYP2D6
SCHEMBL1105967 0.90 DRD4 (0.46) CASRMEN1KMT2ADRD2DRD4
SCHEMBL1106036 0.90 CASR (0.41) CASRACKR3CCR5HTT
SCHEMBL1105900 0.90 CASR (0.42) CASRACKR3CCR5HTT
SCHEMBL1105896 0.90 ACHE (0.43) CASRKMT2AACKR3

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 1/4885PPARG 770/4885MEN1 4104/4885

“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.