SCHEMBL24048481

SCHEMBL24048481

N#CNCCc1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MPO P05164 10/20 0.56
SLC6A4 P31645 2/20 0.49
TAAR1 Q96RJ0 1/20 0.48
CA12 O43570 5/20 0.47
CA2 P00918 5/20 0.47
TSHR P16473 2/20 0.45
CYP2D6 P10635 1/20 0.45
HIF1A Q16665 1/20 0.45
HSPA5 P11021 1/20 0.45
HTR1A P08908 1/20 0.44
CA9 Q16790 4/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 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
SCHEMBL10526958 0.77 MPO (0.80) MPOSLC6A4TAAR1CA12CA2
SCHEMBL8127550 0.77 TAAR1 (0.58) TAAR1CA12CA2TSHRCA9
SCHEMBL7127733 0.77 TAAR1 (0.58) MPOTAAR1CYP2D6HIF1AHTR2A
SCHEMBL2162646 0.74 TAAR1 (0.54) MPOSLC6A4TAAR1CA12CA2
SCHEMBL27381790 0.74 MPO (0.62) MPOSLC6A4TAAR1CA12CA2
SCHEMBL24702011 0.74 MPO (0.62) MPOSLC6A4TAAR1CA12CA2
SCHEMBL2904716 0.74 MPO (0.62) MPOSLC6A4TAAR1CA12CA2
SCHEMBL29706272 0.73 TAAR1 (0.71) MPOSLC6A4TAAR1CA12CA2
SCHEMBL1222973 0.73 TAAR1 (0.71) MPOSLC6A4TAAR1CA12CA2
Bromide SCHEMBL15398510 0.72 MPO (0.60) MPOSLC6A4TAAR1CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183181-A1 PROCESS OF PREPARING BUTYL-(5S)-5-({2-[4-(BUTOXYCARBONYL)PHENYL]ETHYL}[2-(2-{[3-CHLORO-4'-(TRIFLUOROMETHYL)[BIPHENYL]-4-YL]METHOXY}PHENYL)ETHYL]AMINO)-5,6,7,8-TETRAHYDROQUINOLINE-2-CARBOXYLATE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-06-15 US disclosed
WO-2021233783-A1 PROCESS OF PREPARING BUTYL-(5S)-5-({2-[4-(BUTOXYCARBONYL)PHENYL]ETHYL}[2-(2-{[3-CHLORO-4'-(TRIFLUOROMETHYL)[BIPHENYL]-4-YL]METHOXY}PHENYL)ETHYL]AMINO)-5,6,7,8-TETRAHYDROQUINOLINE-2-CARBOXYLATE BAYER AKTIENGESELLSCHAFT (DE) 2021-11-25 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-20230183181-A1 PROCESS OF PREPARING BUTYL-(5S)-5-({2-[4-(BUTOXYCARBONYL)PHENYL]ETHYL}[2-(2-{[3-CHLORO-4'-(TRIFLUOROMETHYL)[BIPHENYL]-4-YL]METHOXY}PHENYL)ETHYL]AMINO)-5,6,7,8-TETRAHYDROQUINOLINE-2-CARBOXYLATE CYP3A5, CYP4B1, KDM5B MPO 1887/4885SLC6A4 1669/4885TAAR1 2937/4885

“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.