SCHEMBL1105927

SCHEMBL1105927

C[C@@H](NCC1CCN(Cc2ccsc2)CC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASR P41180 14/20 0.41
CCR5 P51681 2/20 0.40
KDM1A O60341 1/20 0.39
SIGMAR1 Q99720 1/20 0.36
MCHR1 Q99705 1/20 0.36
ACKR3 P25106 1/20 0.36

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
SCHEMBL1105916 0.93 CASR (0.41) CASRCCR5KDM1ASIGMAR1MCHR1
SCHEMBL1105953 0.86 CASR (0.42) CASRCCR5MCHR1ACKR3
SCHEMBL1105911 0.86 ACKR3 (0.46) CASRCCR5ACKR3
SCHEMBL1105976 0.86 CASR (0.42) CASRCCR5ACKR3
SCHEMBL1105981 0.86 ACHE (0.43) CASRKDM1ASIGMAR1MCHR1ACKR3
SCHEMBL1105904 0.86 CASR (0.42) CASRCCR5SIGMAR1
SCHEMBL1106044 0.85 ACHE (0.46) CASR
SCHEMBL1106066 0.85 CASR (0.43) CASRSIGMAR1
SCHEMBL1105917 0.84 CCR5 (0.46) CASRCCR5SIGMAR1ACKR3
SCHEMBL1105907 0.84 DRD4 (0.46) CASRSIGMAR1

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 542/4885KDM1A 2816/4885

“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.