SCHEMBL1106070

SCHEMBL1106070

C[C@@H](NCC1CCN(Cc2ccc(/C=C/C(=O)O)cc2)CC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 13/20 0.43
HDAC1 Q13547 2/20 0.41
KCNH2 Q12809 1/20 0.41
CASR P41180 3/20 0.41
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ACKR3 P25106 1/20 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
SCHEMBL1105973 0.94 KDM1A (0.43) KDM1AHDAC1KCNH2CASRDRD2
SCHEMBL1105978 0.88 CASR (0.49) KDM1ACASRDRD2HTR2AACKR3
SCHEMBL1105976 0.87 CASR (0.42) CASRACKR3
SCHEMBL1105953 0.86 CASR (0.42) CASRDRD2ACKR3
SCHEMBL1105911 0.86 ACKR3 (0.46) CASRACKR3
SCHEMBL1106045 0.85 ROCK2 (0.45) KDM1ACASRACKR3
SCHEMBL1105904 0.85 CASR (0.42) CASRSIGMAR1
SCHEMBL1105950 0.84 CYP2D6 (0.51) CASRDRD2ACKR3
SCHEMBL1106069 0.83 CASR (0.41) KDM1ACASRACKR3
SCHEMBL1105907 0.83 DRD4 (0.46) CASRDRD2SIGMAR1

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 KDM1A 2816/4885HDAC1 881/4885KCNH2 1238/4885

“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.