SCHEMBL20602005

SCHEMBL20602005

CC(C)C1CCc2[nH]c3cc(Cl)c(Cl)cc3c2C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 5/20 0.40
HTR1D P28221 4/20 0.40
KMT2A Q03164 2/20 0.39
MCHR1 Q99705 1/20 0.39
AR P10275 5/20 0.39
MEN1 O00255 1/20 0.37
NR2E1 Q9Y466 1/20 0.37
HTR1A P08908 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL25498043 0.82 SIRT1 (0.51) HTR1BHTR1DKMT2AMEN1HTR1A
SCHEMBL20602346 0.77 MAPT (0.57) HTR1BHTR1DKMT2AMEN1NR2E1
SCHEMBL4895828 0.77 HTR1B (0.39) HTR1BHTR1DKMT2AMCHR1AR
SCHEMBL25498044 0.77 VPS4B (0.49) HTR1BHTR1DKMT2AMEN1HTR1A
SCHEMBL25493848 0.76 HTR1D (0.34) HTR1BHTR1DKMT2AMEN1NR2E1
SCHEMBL20602071 0.75 AR (0.42) HTR1BHTR1DKMT2AARMEN1
SCHEMBL4908357 0.75 SIRT1 (0.60) HTR1BHTR1DKMT2AARMEN1
SCHEMBL4902920 0.75 SIRT1 (0.47) HTR1BHTR1DKMT2AARMEN1
SCHEMBL20601988 0.75 KDM4E (0.36) KMT2AMCHR1ARMEN1ALDH1A1
SCHEMBL23875668 0.75 NR2E1 (0.65) NR2E1

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 3 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
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 HTR1B 4576/4885HTR1D 4807/4885KMT2A 4605/4885
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 HTR1B 4576/4885HTR1D 4807/4885KMT2A 4605/4885

“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.