SCHEMBL16835552

SCHEMBL16835552

Cc1cc(N2CC(C)OC(C)C2)ncc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 4/20 0.48
GAA P10253 2/20 0.48
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
USP30 Q70CQ3 1/20 0.43

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
SCHEMBL15546192 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EGAAGABRPGABRD
SCHEMBL18436012 0.81 KDM4E (0.52) ALDH1A1KDM4EGAAUSP30KMT2A
SCHEMBL18436276 0.81 KDM4E (0.52) ALDH1A1KDM4EGAAUSP30KMT2A
SCHEMBL21336926 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL19012701 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EGAAUSP30KMT2A
SCHEMBL17075517 0.77 ALDH1A1 (0.57) ALDH1A1KDM4EGAAGABRPGABRD
SCHEMBL8514831 0.77 ADRA1A (0.52) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL23377290 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EGAAUSP30KMT2A
SCHEMBL19998609 0.77 KDM4E (0.49) ALDH1A1KDM4EGAAUSP30KMT2A
SCHEMBL16824218 0.75 RBP4 (0.51) ALDH1A1KDM4EGAAKMT2AMEN1

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 4 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
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
WO-2015091417-A1 SUBSTITUTED PIPERIDINYL-TETRAHYDROQUINOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 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 ALDH1A1 2321/4885KDM4E 3912/4885GAA 3754/4885

“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.