SCHEMBL2890720

SCHEMBL2890720

CCOC(=O)C1(CC)CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
OPRM1 P35372 1/20 0.40
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MMP2 P08253 1/20 0.32
MMP14 P50281 1/20 0.32
ADAM17 P78536 1/20 0.32
GAA P10253 1/20 0.32

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
Hydrochloric Acid SCHEMBL2888576 0.98 POLB (0.41) POLBOPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL13118615 0.90 OPRM1 (0.45) POLBOPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL20502984 0.89 OPRM1 (0.39) POLBOPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL17520182 0.86 OPRM1 (0.38) POLBOPRM1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL21877642 0.86 OPRM1 (0.38) POLBOPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL14222812 0.86 OPRM1 (0.38) POLBOPRM1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL21877591 0.86 OPRM1 (0.38) POLBOPRM1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL20502773 0.84 OPRM1 (0.37) POLBOPRM1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL31719805 0.83 CYP4F2 (0.41) OPRM1SLC6A2SLC6A4SLC6A3ALDH1A1
Hydrochloric Acid SCHEMBL21749186 0.83 OPRM1 (0.36) POLBOPRM1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11026946-B2 Pharmacologically active alicyclic-substituted pyrazolo[1,5-a]pyrimidine derivatives RICHTER GEDEON NYRT. (HU) 2021-06-08 US disclosed
US-10960007-B2 Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives RICHTER GEDEON NYRT. (HU) 2021-03-30 US disclosed
US-20200129515-A1 Pharmacologically Active Alicyclic-Substituted Pyrazolo[1,5-a]Pyrimidine Derivatives RICHTER GEDEON NYRT. (HU) 2020-04-30 US disclosed
US-20200061068-A1 Pharmacologically Active Aryl-Substituted Pyrazolo[1,5-a]Pyrimidine Derivatives RICHTER GEDEON NYRT. (HU) 2020-02-27 US disclosed
EP-2261210-B1 3-SUBSTITUTED SULFONYL PIPERAZINE DERIVATIVE MSD KK (JP) 2014-10-22 EP disclosed
US-8367698-B2 3-substituted sulfonyl piperidine derivative MSD K.K. (JP) 2013-02-05 US disclosed
US-20120232109-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE NAGASE TSUYOSHI (JP) 2012-09-13 US disclosed
US-8188280-B2 3-substituted sulfonyl piperidine derivative MSD K.K. (JP) 2012-05-29 US disclosed
US-20100331360-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE MSD K.K. (JP) 2010-12-30 US disclosed
EP-2261210-A1 3-SUBSTITUTED SULFONYL PIPERAZINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-15 EP 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 (6 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-20200061068-A1 Pharmacologically Active Aryl-Substituted Pyrazolo[1,5-a]Pyrimidine Derivatives GABRA5, P2RX5, P2RY1 POLB 2521/4885OPRM1 153/4885SLC6A2 494/4885
US-20200129515-A1 Pharmacologically Active Alicyclic-Substituted Pyrazolo[1,5-a]Pyrimidine Derivatives GABRA5, GABRA1, P2RX5 POLB 2413/4885OPRM1 248/4885SLC6A2 458/4885
US-10960007-B2 Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives GABRA5, P2RX5, P2RY1 POLB 2521/4885OPRM1 153/4885SLC6A2 494/4885
US-20100331360-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE H1-3, H1-0, H1-2 POLB 4263/4885OPRM1 1907/4885SLC6A2 3153/4885
US-11026946-B2 Pharmacologically active alicyclic-substituted pyrazolo[1,5-a]pyrimidine derivatives GABRA5, GABRA1, P2RX5 POLB 2413/4885OPRM1 248/4885SLC6A2 458/4885
US-20120232109-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE H1-3, H1-0, H1-2 POLB 4263/4885OPRM1 1907/4885SLC6A2 3153/4885

“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.