SCHEMBL17907336

SCHEMBL17907336

O=C(O)CN1CCN(c2ccc(Br)cc2Cl)C1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP1A2 P05177 2/20 0.48
ALDH1A1 P00352 3/20 0.46
CYP2C9 P11712 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.43
RECQL P46063 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
P2RX7 Q99572 3/20 0.39
SLC22A12 Q96S37 1/20 0.38
HTT P42858 1/20 0.36

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
SCHEMBL16531974 0.83 ALDH1A1 (0.43) CYP2C19CYP1A2ALDH1A1CYP2C9KMT2A
SCHEMBL18065422 0.83 LMNA (0.43) CYP2D6CYP2C19CYP3A4CYP1A2ALDH1A1
SCHEMBL16531977 0.79 P2RX7 (0.42) P2RX7SLC22A12
SCHEMBL16531981 0.77 ALDH1A1 (0.42) ALDH1A1POLBLMNAP2RX7HTT
SCHEMBL29182733 0.76 SLC22A12 (0.42) KMT2AMAPTRECQLP2RX7SLC22A12
SCHEMBL22894540 0.75 P2RX7 (0.39) KMT2AKDM4EMAPTP2RX7SLC22A12
SCHEMBL16532116 0.70 P2RX7 (0.43) CYP2C19CYP1A2ALDH1A1CYP2C9KMT2A
SCHEMBL3582057 0.69 KMT2A (0.61) CYP2D6CYP2C19CYP3A4CYP1A2ALDH1A1
SCHEMBL17907285 0.69 LMNA (0.40) CYP2C19CYP1A2ALDH1A1CYP2C9KMT2A
SCHEMBL24719734 0.67 HSD17B10 (0.46) CYP2D6CYP2C19CYP3A4CYP1A2ALDH1A1

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
EP-3042907-B1 DGAT1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF QUINGDAO HUANGHAI PHARMACEUTICAL CO LTD (CN) 2021-01-13 EP disclosed
US-9809604-B2 DGAT1 inhibitor and preparation method and use thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2017-11-07 US disclosed
US-20160272651-A1 DGAT1 Inhibitor and Preparation Method and Use Thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2016-09-22 US disclosed
EP-3042907-A1 DGAT1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF Medshine Discovery Inc. (CN) 2016-07-13 EP 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-20160272651-A1 DGAT1 Inhibitor and Preparation Method and Use Thereof DGAT1, DGAT2, LCAT CYP2D6 2751/4885CYP2C19 2583/4885CYP3A4 3867/4885

“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.