SCHEMBL19145665

SCHEMBL19145665

Cc1ccc(SN(C)C)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.38
NOTUM Q6P988 1/20 0.35
S1PR1 P21453 4/20 0.34
TAS2R14 Q9NYV8 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL14925670 0.79 AR (0.41) ARNOTUMS1PR1TAS2R14ALKBH5
SCHEMBL20388971 0.77 NOTUM (0.39) ARNOTUMS1PR1PDE3BPDE3A
SCHEMBL21780682 0.77 AR (0.37) AR
SCHEMBL19145323 0.77 AR (0.40) ARNOTUMS1PR1TAS2R14ALKBH5
SCHEMBL13556616 0.73 AR (0.49) ARS1PR1TAS2R14ALDH1A1HPGD
SCHEMBL19529499 0.73 AR (0.47) ARNOTUMALDH1A1CTSSCTSK
SCHEMBL10167452 0.71 MAPT (0.45) ARS1PR1ALDH1A1HPGD
SCHEMBL13763445 0.71 CRHR1 (0.48) ARNOTUMS1PR1TAS2R14ALDH1A1
SCHEMBL13415416 0.69 MAPT (0.43) ARNOTUMTAS2R14GPBAR1ALKBH5
SCHEMBL5949403 0.69 NOTUM (0.53) ARNOTUMS1PR1TAS2R14PDE3B

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-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
EP-3722284-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2020-10-14 EP disclosed
EP-3402781-B1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-04 EP disclosed
WO-2017121647-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 WO 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-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 AR 274/4885NOTUM 4502/4885S1PR1 1891/4885

“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.