SCHEMBL1106034

SCHEMBL1106034

C[C@@H](NCC1CN(CCc2ccccc2)CCC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASR P41180 12/20 0.46
CCR5 P51681 1/20 0.44
DRD4 P21917 1/20 0.42
CYP2D6 P10635 1/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
EPHX2 P34913 2/20 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
SCHEMBL1105910 0.95 CASR (0.45) CASRCCR5DRD4CYP2D6EPHX2
SCHEMBL1105930 0.92 CCR5 (0.47) CASRCCR5DRD4CYP2D6METAP2
SCHEMBL1105869 0.90 CASR (0.47) CASRDRD4
SCHEMBL1106032 0.90 CASR (0.45) CASRCCR5DRD4
SCHEMBL1105880 0.88 CASR (0.45) CASR
SCHEMBL1106042 0.88 CASR (0.45) CASRCCR5DRD4CYP2D6EPHX2
SCHEMBL1105958 0.87 CASR (0.46) CASR
SCHEMBL1105970 0.85 ACHE (0.46) CASR
SCHEMBL1106035 0.85 ACKR3 (0.46) CASRDRD4
SCHEMBL1106062 0.85 CASR (0.42) CASRCCR5DRD4CYP2D6

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 1/4885CCR5 542/4885DRD4 1475/4885

“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.