SCHEMBL1105932

SCHEMBL1105932

C[C@@H](NCC1CCN(Cc2cccc(O)c2)CC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
ACKR3 P25106 1/20 0.42
CASR P41180 11/20 0.41
SIGMAR1 Q99720 1/20 0.39
CCR5 P51681 1/20 0.38

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
SCHEMBL1106057 0.93 DRD2 (0.42) DRD2ACKR3CASRSIGMAR1
SCHEMBL1105976 0.91 CASR (0.42) ACKR3CASRCCR5
SCHEMBL1105917 0.90 CCR5 (0.46) DRD2ACKR3CASRSIGMAR1CCR5
SCHEMBL1105981 0.89 ACHE (0.43) ACKR3CASRSIGMAR1
SCHEMBL1106068 0.88 DRD4 (0.47) DRD2ACKR3CASRSIGMAR1
SCHEMBL1105911 0.86 ACKR3 (0.46) ACKR3CASRCCR5
SCHEMBL1105953 0.86 CASR (0.42) DRD2ACKR3CASRCCR5
SCHEMBL1105978 0.86 CASR (0.49) DRD2ACKR3CASR
SCHEMBL1105928 0.86 CASR (0.42) CASR
SCHEMBL1105904 0.86 CASR (0.42) CASRSIGMAR1CCR5

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 DRD2 451/4885ACKR3 355/4885CASR 1/4885

“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.