SCHEMBL1106035

SCHEMBL1106035

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

nearest known ligand 0.46

Predicted protein targets (top 11)

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
ROCK2 O75116 3/20 0.38
CCR2 P41597 1/20 0.38
ROCK1 Q13464 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
SCHEMBL1106032 0.94 CASR (0.45) ACKR3CASRDRD4
SCHEMBL1106062 0.93 CASR (0.42) ACKR3MEN1KMT2ACASRDRD4
SCHEMBL1105911 0.93 ACKR3 (0.46) ACKR3MEN1KMT2ACASRDRD4
SCHEMBL1105968 0.92 ACKR3 (0.46) ACKR3CASRDRD4ROCK2CCR2
SCHEMBL1105903 0.92 CASR (0.42) ACKR3CASRBCHEACHEBACE1
SCHEMBL1105965 0.92 CASR (0.42) CASRBCHEACHEBACE1ROCK2
SCHEMBL1105972 0.90 CASR (0.49) ACKR3CASR
SCHEMBL1105967 0.90 DRD4 (0.46) MEN1KMT2ACASRDRD4ACHE
SCHEMBL1106036 0.90 CASR (0.41) ACKR3CASR
SCHEMBL1105896 0.90 ACHE (0.43) ACKR3KMT2ACASRACHE

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.