SCHEMBL8514831

SCHEMBL8514831

CC1CN(c2ccc(C(=O)O)cn2)CC(C)O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.52
KMT2A Q03164 4/20 0.47
AOC3 Q16853 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
LMNA P02545 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 2/20 0.43
HDAC1 Q13547 1/20 0.43
OGA O60502 1/20 0.43
P4HA1 P13674 2/20 0.42
P4HTM Q9NXG6 2/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SMO Q99835 1/20 0.41
MIF P14174 1/20 0.41

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
SCHEMBL27739912 0.87 HRH3 (0.52) ADRA1AKMT2AAOC3HRH3NPC1
SCHEMBL31026061 0.87 HRH3 (0.52) ADRA1AKMT2AAOC3HRH3NPC1
SCHEMBL8589172 0.87 HRH3 (0.52) ADRA1AKMT2AAOC3HRH3NPC1
SCHEMBL16846259 0.85 KMT2A (0.57) ADRA1AKMT2AAOC3HRH3ALDH1A1
SCHEMBL17128144 0.85 KMT2A (0.57) ADRA1AKMT2AAOC3HRH3ALDH1A1
SCHEMBL17560141 0.82 HRH3 (0.45) ADRA1AKMT2AHRH3LMNAALDH1A1
SCHEMBL15546819 0.82 HRH3 (0.47) ADRA1AKMT2AHRH3LMNAALDH1A1
SCHEMBL16824367 0.80 POLB (0.55) KMT2AAOC3ALDH1A1HPGDNPC1
SCHEMBL20220389 0.80 POLB (0.55) KMT2AAOC3ALDH1A1HPGDNPC1
SCHEMBL30744925 0.80 LMNA (0.48) KMT2AHRH3LMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624198-B2 Substituted piperidinyltetrahydroquinolines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-18 US disclosed
US-9624198-B2 Substituted piperidinyltetrahydroquinolines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-18 US disclosed
US-9624198-B2 Substituted piperidinyltetrahydroquinolines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-18 US disclosed
EP-3083593-A1 SUBSTITUTED PIPERIDINYL-TETRAHYDROQUINOLINES Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
US-20160304491-A1 SUBSTITUTED PIPERIDINYLTETRAHYDROQUINOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-20 US disclosed
US-20160304491-A1 SUBSTITUTED PIPERIDINYLTETRAHYDROQUINOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-20 US disclosed
US-20160304491-A1 SUBSTITUTED PIPERIDINYLTETRAHYDROQUINOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-20 US disclosed
WO-2015091417-A1 SUBSTITUTED PIPERIDINYL-TETRAHYDROQUINOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
WO-2015091417-A1 SUBSTITUTED PIPERIDINYL-TETRAHYDROQUINOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
EP-2456422-A2 TOPICAL PHARMACEUTICAL COMPOSITION INCLUDING REL-N-[6-[(2R,6S)-2,6-DIMETHYL-4-MORPHOLINYL]-3-PYRIDINYL]-2-METHYL-41-(TRIFLUOROMETHOXY)-[1,1'-BIPHENYL]-3-CARBOXAMIDE. Novartis AG (CH) 2012-05-30 EP disclosed
WO-2011009852-A3 TOPICAL PHARMACEUTICAL COMPOSITION INCLUDING REL-N- [6 - [ (2R, 6S) - 2, 6 - DIMETHYL - 4 -MORPHOLINYL] -3 - PYRIDINYL] - 2 -METHYL -41 (TRIFLUOROMETHOXY) - [1,1' -BIPHENYL] - 3 - CARBOXAMIDE NOVARTIS AG (CH) 2012-01-19 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-20160304491-A1 SUBSTITUTED PIPERIDINYLTETRAHYDROQUINOLINES TNNI3, TNNC1, PRPH ADRA1A 1949/4885KMT2A 4647/4885AOC3 3648/4885

“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.