SCHEMBL1105929

SCHEMBL1105929

C[C@@H](NCC1CCN(Cc2nccs2)CC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASR P41180 12/20 0.41
KDM1A O60341 3/20 0.38
MAOB P27338 1/20 0.36
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
SCN9A Q15858 1/20 0.34
IDH1 O75874 1/20 0.34

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
SCHEMBL1106063 0.93 CASR (0.41) CASRKDM1AMAOBDRD2HTR2A
SCHEMBL1106066 0.85 CASR (0.43) CASR
SCHEMBL1106044 0.84 ACHE (0.46) CASR
SCHEMBL1105927 0.83 CASR (0.41) CASRKDM1A
SCHEMBL10211405 0.82 CASR (0.40) CASR
SCHEMBL1105902 0.82 ROCK2 (0.41) CASR
SCHEMBL1105911 0.81 ACKR3 (0.46) CASR
SCHEMBL1105953 0.81 CASR (0.42) CASRDRD2
SCHEMBL1105924 0.81 CASR (0.47) CASRDRD2
SCHEMBL1105928 0.81 CASR (0.42) CASR

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 2 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-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 1/4885KDM1A 2816/4885MAOB 3589/4885

“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.