SCHEMBL21556050

SCHEMBL21556050

CC1(Oc2ccc(N)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 8/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
TEAD4 Q15561 1/20 0.41
MAPT P10636 5/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAOA P21397 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
NR4A1 P22736 1/20 0.38
APP P05067 1/20 0.38
MAOB P27338 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DRD2 P14416 1/20 0.36
MITF O75030 1/20 0.35

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
SCHEMBL23465931 0.86 TDP1 (0.39) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL17848464 0.80 GRIN2D (0.44) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL11033785 0.80 ALDH1A1 (0.37) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL11033782 0.80 ALDH1A1 (0.37) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL25513382 0.79 ACHE (0.44) TDP1ALDH1A1CYP3A4TSHRTEAD4
SCHEMBL20475926 0.77 MAPT (0.37) MAPK1ALDH1A1TSHRMAPTMAOA
SCHEMBL20228041 0.77 TDP1 (0.38) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL25283157 0.76 MAPT (0.50) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL16023551 0.75 CYP3A4 (0.43) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL29927719 0.75 CYP3A4 (0.43) TDP1MAPK1ALDH1A1CYP3A4TSHR

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-10472386-B2 Bile acid derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-11-12 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-10472386-B2 Bile acid derivatives as FXR agonists and methods of use thereof NR1H4, GPBAR1, SLC10A1 TDP1 2842/4885MAPK1 2130/4885ALDH1A1 1993/4885

“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.