SCHEMBL17130522

SCHEMBL17130522

Cc1ccc(OC2CCC2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.44
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDK2 Q15119 2/20 0.40
HRH3 Q9Y5N1 5/20 0.40
MAOB P27338 1/20 0.40
ROCK1 Q13464 1/20 0.40
FURIN P09958 2/20 0.39
ABL1 P00519 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL172836 0.96 PTGS1 (0.44) PARP10PTGS1PTGS2MEN1KMT2A
SCHEMBL11587463 0.94 MEN1 (0.47) PARP10PTGS1PTGS2MEN1KMT2A
SCHEMBL17130520 0.92 ACACB (0.40) PTGS1PTGS2MEN1KMT2AMAOB
SCHEMBL16483395 0.83 NPC1 (0.47) PARP10PTGS1PTGS2MEN1KMT2A
SCHEMBL3113379 0.83 HAO1 (0.36) MEN1KMT2AHRH3MAOBTDP1
SCHEMBL24179678 0.83 PARP10 (0.41) PARP10PTGS1PTGS2PDK2HRH3
SCHEMBL30609150 0.83 PARP10 (0.41) PARP10PTGS1PTGS2MEN1KMT2A
SCHEMBL16483457 0.83 PTGS1 (0.48) PARP10PTGS1PTGS2PDK2HRH3
SCHEMBL20240561 0.83 PARP10 (0.45) PARP10PTGS1PTGS2PDK2HRH3
SCHEMBL3130589 0.83 HRH1 (0.55) HRH3ROCK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274672-A1 SUBSTITUTED SPIROPIPERIDINYL COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2015-10-01 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-20150274672-A1 SUBSTITUTED SPIROPIPERIDINYL COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR180, GPR88 PARP10 2285/4885PTGS1 359/4885PTGS2 409/4885

“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.