SCHEMBL1106036

SCHEMBL1106036

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASR P41180 14/20 0.41
ACKR3 P25106 1/20 0.37
CCR5 P51681 1/20 0.36
HTT P42858 1/20 0.36
KDM1A O60341 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1106069 0.93 CASR (0.41) CASRACKR3CCR5HTTKDM1A
SCHEMBL1106032 0.92 CASR (0.45) CASRACKR3CCR5HTTKDM1A
SCHEMBL1106062 0.90 CASR (0.42) CASRACKR3CCR5HTT
SCHEMBL1106035 0.90 ACKR3 (0.46) CASRACKR3
SCHEMBL1105965 0.89 CASR (0.42) CASRCCR5
SCHEMBL1105903 0.89 CASR (0.42) CASRACKR3HTT
SCHEMBL1105967 0.88 DRD4 (0.46) CASR
SCHEMBL1105972 0.88 CASR (0.49) CASRACKR3KDM1A
SCHEMBL1105900 0.88 CASR (0.42) CASRACKR3CCR5HTT
SCHEMBL1105896 0.88 ACHE (0.43) CASRACKR3KDM1A

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 1/4885ACKR3 355/4885CCR5 542/4885

“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.