SCHEMBL1105953

SCHEMBL1105953

C[C@@H](NCC1CCN(Cc2ccc(-c3ccccc3)cc2)CC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.42
CCR5 P51681 2/20 0.40
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
CYP2D6 P10635 1/20 0.37
MCHR1 Q99705 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
SCHEMBL1106062 0.93 CASR (0.42) CASRCCR5PPARGMEN1POLB
SCHEMBL1105911 0.93 ACKR3 (0.46) CASRCCR5MEN1KMT2AACKR3
SCHEMBL1105904 0.92 CASR (0.42) CASRCCR5
SCHEMBL1105976 0.92 CASR (0.42) CASRCCR5ACKR3
SCHEMBL1106069 0.90 CASR (0.41) CASRCCR5ACKR3
SCHEMBL1105907 0.90 DRD4 (0.46) CASRMEN1KMT2ADRD2DRD4
SCHEMBL1105978 0.90 CASR (0.49) CASRACKR3DRD2CYP2D6
SCHEMBL1105981 0.90 ACHE (0.43) CASRPOLBKMT2AACKR3MCHR1
SCHEMBL1105917 0.88 CCR5 (0.46) CASRCCR5ACKR3DRD2DRD4
SCHEMBL1106044 0.88 ACHE (0.46) CASRMEN1KMT2A

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 542/4885PPARG 770/4885

“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.