SCHEMBL1105787

SCHEMBL1105787

C[C@@H](NCC1CCN(C(=O)C(F)(F)F)CC1c1ccccc1)c1csc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
HSD17B2 P37059 1/20 0.40
CCR5 P51681 5/20 0.38
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
MAPT P10636 1/20 0.34
TACR1 P25103 3/20 0.34
RORC P51449 2/20 0.33
CHRM4 P08173 1/20 0.33
ALOX5 P09917 1/20 0.33
OPRD1 P41143 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL1095794 0.85 CASR (0.45) KDM1A
SCHEMBL1105792 0.83 CCR5 (0.41) HSD17B2CCR5MAPT
SCHEMBL1105788 0.82 PPARG (0.37) KDM1AHSD17B2
SCHEMBL1105819 0.80 CASR (0.47) HSD17B2HTR7
SCHEMBL1105749 0.80 HSD17B2 (0.38) KDM1AHSD17B2CCR5SLC6A2SLC6A4
SCHEMBL1105799 0.79 HSD17B2 (0.37) HSD17B2CCR5UTS2RMAPTHTR7
SCHEMBL1105776 0.78 CASR (0.45) HSD17B2HTR7
SCHEMBL1105800 0.78 CASR (0.38) KDM1AHSD17B2MAPT
SCHEMBL1096982 0.78 CASR (0.41)
SCHEMBL1106020 0.78 HMOX1 (0.38) HSD17B2CCR5HTR7

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 2816/4885HSD17B2 1097/4885CCR5 542/4885

“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.