SCHEMBL21980046

SCHEMBL21980046

Cc1ccc2c(c1)C(O)C1CC2C(O)c2cc(C)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
HTR2C P28335 4/20 0.44
KMT2A Q03164 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2B P41595 2/20 0.39
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
ACHE P22303 2/20 0.35
TRPA1 O75762 1/20 0.34
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
UGT2B17 O75795 1/20 0.32

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
SCHEMBL25795661 0.85 CHRNB2 (0.44) CHRNB2CHRNA4HTR2CKMT2AHTR2A
SCHEMBL27053456 0.85 CHRNB2 (0.44) CHRNB2CHRNA4HTR2CKMT2AHTR2A
SCHEMBL22035375 0.77 CHRNB2 (0.44) CHRNB2CHRNA4HTR2CKMT2AHTR2A
SCHEMBL22036440 0.77 CHRNB2 (0.44) CHRNB2CHRNA4HTR2CKMT2AHTR2A
SCHEMBL23222447 0.70 DYRK1A (0.39) CHRNB2CHRNA4KMT2AACHETRPA1
SCHEMBL3445529 0.70 HTR2C (0.68) CHRNB2CHRNA4HTR2CHTR2AHTR2B
SCHEMBL14591153 0.67 KMT2A (0.44) CHRNB2CHRNA4HTR2CKMT2AHTR2A
SCHEMBL25554156 0.67 CHRNB2 (0.43) CHRNB2CHRNA4HTR2CKMT2AHTR2A
SCHEMBL16502234 0.67 CHRNB2 (0.38) CHRNB2CHRNA4HTR2CKMT2AHTR2A
SCHEMBL11530896 0.67 CHRNB2 (0.47) CHRNB2CHRNA4HTR2CKMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200165189-A1 PSEUDO TRÖGER'S BASE AMINES AND MICROPOROUS POLYMERS DERIVED FROM PSEUDO TRÖGER'S BASE AMINES UNIV KING ABDULLAH SCI & TECH (SA) 2020-05-28 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 (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-20200165189-A1 PSEUDO TRÖGER'S BASE AMINES AND MICROPOROUS POLYMERS DERIVED FROM PSEUDO TRÖGER'S BASE AMINES PARG, PARN, TPR CHRNB2 1422/4885CHRNA4 1331/4885HTR2C 977/4885

“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.