SCHEMBL1445112

SCHEMBL1445112

c1ccc(CC2CCCN2c2ccc3[nH]cnc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.46
SLC6A3 Q01959 6/20 0.46
SLC6A2 P23975 5/20 0.46
CYP2D6 P10635 1/20 0.44
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
CDC42BPB Q9Y5S2 2/20 0.44
ATM Q13315 10/20 0.43
PIK3C3 Q8NEB9 8/20 0.43
DYRK1A Q13627 1/20 0.43
ATR Q13535 1/20 0.40
PRKDC P78527 1/20 0.39

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
SCHEMBL1445245 0.89 ATM (0.45) SLC6A4SLC6A3SLC6A2CYP2D6ROCK2
SCHEMBL1444272 0.89 GABRP (0.40) SLC6A4SLC6A3SLC6A2CYP2D6ROCK2
SCHEMBL1444326 0.86 ATM (0.47) ATMDYRK1A
SCHEMBL1673469 0.80 NUDT1 (0.46) SLC6A4SLC6A3SLC6A2CYP2D6ROCK2
SCHEMBL25949040 0.76 ALDH1A1 (0.36)
SCHEMBL1444388 0.74 QPCT (0.51)
SCHEMBL25425906 0.73 AR (0.37)
SCHEMBL31150453 0.73 AR (0.37)
SCHEMBL1444384 0.71 QPCT (0.42) SLC6A3ROCK2
SCHEMBL1444563 0.71 NR3C2 (0.49)

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658141-B1 TREATING PATHOLOGICAL CONDITIONS BY DIRECT AND INDIRECT TARGETING OF SIRPALPHA - CD47 INTERACTION STICHTING HET NEDERLANDS KANKER INST ANTONI VAN LEEUWENHOEK ZIEKENHUIS (NL) 2022-11-16 EP claimed
EP-2475428-B1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2015-07-01 EP claimed
EP-3658141-B1 TREATING PATHOLOGICAL CONDITIONS BY DIRECT AND INDIRECT TARGETING OF SIRPALPHA - CD47 INTERACTION STICHTING HET NEDERLANDS KANKER INST ANTONI VAN LEEUWENHOEK ZIEKENHUIS (NL) 2022-11-16 EP disclosed
US-20220087981-A1 TREATING PATHOLOGICAL CONDITIONS BY DIRECT AND INDIRECT TARGETING OF SIRPA-CD47 INTERACTION Stichting Het Nederlands Kanker Instituut-Antoni van Leeuwenhoek Ziekenhuis (NL) 2022-03-24 US disclosed
EP-3747438-A1 TREATING PATHOLOGICAL CONDITIONS BY DIRECT AND INDIRECT TARGETING OF SIRPA - CD47 INTERACTION Stichting Het Nederlands Kanker Instituut- Antoni van Leeuwenhoek Ziekenhuis (NL) 2020-12-09 EP disclosed
EP-3747437-A1 TREATING PATHOLOGICAL CONDITIONS BY DIRECT AND INDIRECT TARGETING OF SIRPA - CD47 INTERACTION Stichting Het Nederlands Kanker Instituut- Antoni van Leeuwenhoek Ziekenhuis (NL) 2020-12-09 EP 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-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 US disclosed
US-20160039795-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2016-02-11 US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 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-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 US disclosed
EP-2475428-A1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2012-07-18 EP 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
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
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 (3 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 SLC6A4 3836/4885SLC6A3 3348/4885SLC6A2 3575/4885
US-20160039795-A1 NOVEL INHIBITORS GLUL, QPCT, GLS SLC6A4 3836/4885SLC6A3 3348/4885SLC6A2 3575/4885
US-20220087981-A1 TREATING PATHOLOGICAL CONDITIONS BY DIRECT AND INDIRECT TARGETING OF SIRPA-CD47 INTERACTION QPCT, QPCTL, CD47 SLC6A4 3949/4885SLC6A3 4265/4885SLC6A2 3417/4885

“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.