SCHEMBL17877667

SCHEMBL17877667

CCOC(=O)c1ccc(N2CC3CCC(C2)N3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.53
ABL1 P00519 1/20 0.53
MAPT P10636 1/20 0.53
RIN1 Q13671 1/20 0.53
HPGD P15428 2/20 0.52
ALDH1A1 P00352 4/20 0.50
HSP90AA1 P07900 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ESR1 P03372 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
ESR2 Q92731 1/20 0.47
CA14 Q9ULX7 1/20 0.47
RAB9A P51151 1/20 0.47

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 SCHEMBL17870035 0.99 HTT (0.52) HTTABL1MAPTRIN1HPGD
SCHEMBL65289 0.84 HTT (0.54) HTTHPGDALDH1A1HSP90AA1CACNA1B
SCHEMBL64329 0.84 HTT (0.54) HTTHPGDALDH1A1HSP90AA1CACNA1B
SCHEMBL847669 0.84 HTT (0.56) HTTHPGDALDH1A1HSP90AA1CACNA1B
SCHEMBL14331881 0.82 HTT (0.58) HTTHPGDALDH1A1HSP90AA1CACNA1B
SCHEMBL17870241 0.81 HTT (0.52) HTTHPGDALDH1A1HSP90AA1CACNA1B
SCHEMBL6132378 0.79 ALDH1A1 (0.62) HTTMAPTHPGDALDH1A1HSP90AA1
SCHEMBL63005 0.79 HTT (0.54) HTTHPGDALDH1A1HSP90AA1CACNA1B
SCHEMBL6132380 0.79 ALDH1A1 (0.62) HTTMAPTHPGDALDH1A1HSP90AA1
SCHEMBL4635913 0.79 HTT (0.54) HTTHPGDALDH1A1HSP90AA1CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934299-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-03-02 US disclosed
US-9902728-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors FORMA THERAPEUTICS, INC. (US) 2018-02-27 US disclosed
US-9902728-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors FORMA THERAPEUTICS, INC. (US) 2018-02-27 US disclosed
US-20160185785-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2016-06-30 US disclosed
US-20160185785-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2016-06-30 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 (2 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-20160185785-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, UBA7, UBXN1 HTT 1255/4885ABL1 1555/4885MAPT 1391/4885
US-10934299-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors USP7, UBA7, UBXN1 HTT 1255/4885ABL1 1555/4885MAPT 1391/4885

“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.