SCHEMBL20601973

SCHEMBL20601973

Brc1ccc2[nH]c3c(c2c1)CC(c1ccccc1)CC3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
CYP2D6 P10635 2/20 0.49
SIRT1 Q96EB6 1/20 0.48
KCNH2 Q12809 1/20 0.47
HSD17B10 Q99714 1/20 0.46
HTR6 P50406 1/20 0.46
DHODH Q02127 1/20 0.45
NR2E1 Q9Y466 1/20 0.45
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44
KMT2A Q03164 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
BAZ2B Q9UIF8 2/20 0.43
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
HTR1B P28222 2/20 0.41
HTR1D P28221 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
SCHEMBL11203137 0.84 RB1 (0.51) SIRT1HTR6NR2E1DRD2DRD1
SCHEMBL11200910 0.84 HTR2A (0.53) SIRT1HTR6NR2E1DRD2DRD1
SCHEMBL11199712 0.84 HTR2A (0.52) HTR6NR2E1DRD2DRD1DRD5
SCHEMBL7048004 0.83 NR2E1 (0.63) CYP2D6KCNH2HSD17B10NR2E1DRD2
SCHEMBL11197826 0.81 HTR1D (0.66) MAPTCYP2D6SIRT1HSD17B10HTR6
SCHEMBL11205154 0.79 MAPT (0.58) MAPTHTR6KMT2ABAZ2BCCNB2
SCHEMBL11197185 0.78 KMT2A (0.56) MAPTHSD17B10HTR6DRD2DRD1
SCHEMBL9336395 0.78 HTR1B (0.65) MAPTCYP2D6SIRT1HSD17B10HTR6
SCHEMBL2187935 0.78 KMT2A (0.64) MAPTCYP2D6SIRT1HSD17B10DHODH
SCHEMBL11194808 0.77 HTR1D (0.45) MAPTHSD17B10HTR6NR2E1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11458121-B2 Therapeutic compounds and methods to treat infection RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-10-04 US disclosed
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-05-21 US disclosed
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-05-21 US disclosed
WO-2019005841-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-01-03 WO disclosed
WO-2019005841-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-01-03 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 (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-11458121-B2 Therapeutic compounds and methods to treat infection ABCB11, SLC10A1, SLC47A1 MAPT 4110/4885CYP2D6 1059/4885SIRT1 1682/4885
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 MAPT 4110/4885CYP2D6 1059/4885SIRT1 1682/4885

“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.