SCHEMBL18085367

SCHEMBL18085367

CCC[C@H](CNC)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.49
OPRK1 P41145 9/20 0.49
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
BCHE P06276 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL28235122 0.82 TSHR (0.43) OPRK1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL18085353 0.79 TSHR (0.46) MEN1KMT2ATSHRALDH1A1TP53
SCHEMBL5268760 0.79 TSHR (0.46) MEN1KMT2ATSHRALDH1A1TP53
SCHEMBL5268765 0.79 TSHR (0.46) MEN1KMT2ATSHRALDH1A1TP53
SCHEMBL18087918 0.78 TSHR (0.45) OPRK1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL18085350 0.78 CARM1 (0.44) OPRK1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL8069172 0.78 OPRD1 (0.50) OPRD1OPRK1KMT2ATSHRBCHE
SCHEMBL22375244 0.75 OPRK1 (0.47) OPRD1OPRK1MEN1KMT2ASLC6A2
SCHEMBL19244148 0.74 TSHR (0.50) OPRD1OPRK1KMT2ASLC6A2SLC6A4
SCHEMBL18085366 0.73 ALDH1A1 (0.46) MEN1KMT2AALDH1A1

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-9950993-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-24 US disclosed
US-9926261-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-03-27 US disclosed
US-20160271082-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-22 US disclosed
US-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-22 US 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 (2 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-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 OPRD1 2438/4885OPRK1 1789/4885MEN1 4227/4885
US-20160271082-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 OPRD1 2438/4885OPRK1 1789/4885MEN1 4227/4885

“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.