SCHEMBL12733053

SCHEMBL12733053

CN1CCC(c2ccc(CO)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 2/20 0.58
▸ QDPR P09417 2/20 0.54
▸ CHKA P35790 1/20 0.47
▸ SLC18A3 Q16572 1/20 0.46
▸ DRD2 P14416 3/20 0.45
▸ MAP4K1 Q92918 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ KDM1A O60341 2/20 0.42
▸ MAOA P21397 2/20 0.42
▸ KDM1B Q8NB78 2/20 0.42

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
SCHEMBL28627970 0.89 LSS (0.49) LSSQDPRCHKADRD2
SCHEMBL15498535 0.86 LSS (0.55) LSSQDPRSLC18A3DRD2ESRRG
SCHEMBL10264241 0.83 LSS (0.59) LSSQDPRDRD2
SCHEMBL742590 0.82 ESR2 (0.52) —
SCHEMBL23173450 0.81 LSS (0.58) LSSQDPRDRD2HDAC3HDAC4
SCHEMBL2426347 0.81 LSS (0.58) LSSQDPRCHKADRD2MAP4K1
SCHEMBL15177091 0.81 LSS (0.58) LSSQDPRDRD2HDAC3HDAC4
SCHEMBL21462239 0.81 LSS (0.62) LSSQDPRDRD2HDAC3HDAC4
SCHEMBL26126635 0.81 LSS (0.58) LSSQDPRDRD2HDAC3HDAC4
Hydrochloric Acid SCHEMBL11439766 0.81 LSS (0.58) LSSQDPRDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019196918-A1 FIVE-MEMBERED HETEROCYCLO-PYRIMIDINE COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 罗欣药业(上海)有限公司 2019-10-17 — — WO disclosed
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 — — US disclosed
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 — — US disclosed
US-9598361-B1 Amino substituted acetamide derivative KING SAUD UNIVERSITY (SA) 2017-03-21 — — US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 — — US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 — — US disclosed
EP-2475428-B1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2015-07-01 — — EP disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 — — US disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 — — US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 — — US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 — — US disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 — — US disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 — — US disclosed
WO-2011029920-A1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2011-03-17 — — 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 (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-20110092501-A1 NOVEL INHIBITORS GLUL, QPCT, GLS LSS 2012/4885QDPR 165/4885CHKA 2646/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS LSS 2012/4885QDPR 165/4885CHKA 2646/4885

“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.

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