SCHEMBL15564655

SCHEMBL15564655

CN(Cc1ccccc1)[C@@H]1CCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
XBP1 P17861 1/20 0.53
HTT P42858 1/20 0.53
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
RAB9A P51151 1/20 0.51
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
TAS2R14 Q9NYV8 1/20 0.47
P2RX3 P56373 2/20 0.47
P2RX2 Q9UBL9 2/20 0.47
SLC18A3 Q16572 1/20 0.47
GRIN2B Q13224 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL16998525 1.00 ALDH1A1 (0.53) ALDH1A1XBP1HTTMAOAMAOB
SCHEMBL18328139 0.91 MAOA (0.61) ALDH1A1XBP1HTTMAOAMAOB
SCHEMBL14025468 0.86 TAS2R14 (0.60) ALDH1A1XBP1HTTTAS2R14
SCHEMBL14025466 0.83 TAS2R14 (0.50) ALDH1A1XBP1HTTRAB9ATAS2R14
SCHEMBL12124861 0.83 HTT (0.57) ALDH1A1XBP1HTTMAOAMAOB
SCHEMBL12124859 0.83 HTT (0.57) ALDH1A1XBP1HTTMAOAMAOB
SCHEMBL12124857 0.83 HTT (0.57) ALDH1A1XBP1HTTMAOAMAOB
SCHEMBL9493448 0.80 SLC18A3 (0.56) ALDH1A1XBP1HTTRAB9ATAS2R14
SCHEMBL13209092 0.80 ALDH1A1 (0.58) ALDH1A1XBP1HTTMAOAMAOB
SCHEMBL13209087 0.79 HTT (0.61) ALDH1A1XBP1HTTMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2882740-B1 IAP ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed
EP-2882740-B1 IAP ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed
US-9453048-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 US disclosed
US-9453048-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 US disclosed
US-20150225452-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-08-13 US disclosed
US-20150225452-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-08-13 US disclosed
EP-2882740-A1 IAP ANTAGONISTS Bristol-Myers Squibb Company (US) 2015-06-17 EP disclosed
WO-2014025759-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-13 WO disclosed
WO-2014025759-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-13 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 (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-20150225452-A1 IAP ANTAGONISTS XIAP, API5, BIRC5 ALDH1A1 3456/4885XBP1 334/4885HTT 3265/4885

“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.