SCHEMBL1105911

SCHEMBL1105911

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CASR P41180 8/20 0.42
DRD4 P21917 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
CCR5 P51681 2/20 0.40
ROCK2 O75116 3/20 0.38
CCR2 P41597 1/20 0.38
ROCK1 Q13464 1/20 0.38
CYP2D6 P10635 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
SCHEMBL1105953 0.93 CASR (0.42) ACKR3MEN1KMT2ACASRDRD4
SCHEMBL1106035 0.93 ACKR3 (0.46) ACKR3MEN1KMT2ACASRDRD4
SCHEMBL1105917 0.92 CCR5 (0.46) ACKR3CASRDRD4CCR5ROCK2
SCHEMBL1105904 0.92 CASR (0.42) CASRBCHEACHEBACE1CCR5
SCHEMBL1105976 0.92 CASR (0.42) ACKR3CASRBCHEACHEBACE1
SCHEMBL1105978 0.90 CASR (0.49) ACKR3CASRCYP2D6
SCHEMBL1105907 0.90 DRD4 (0.46) MEN1KMT2ACASRDRD4ACHE
SCHEMBL1106069 0.90 CASR (0.41) ACKR3CASRCCR5
SCHEMBL1105981 0.90 ACHE (0.43) ACKR3KMT2ACASRACHE
SCHEMBL1106043 0.88 DRD4 (0.43) ACKR3CASRDRD4ACHEROCK2

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 ACKR3 355/4885MEN1 4104/4885KMT2A 2134/4885

“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.