SCHEMBL13314904

SCHEMBL13314904

CC(C)(C)CCN1CCC2(CC1)OC(=O)Nc1ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
MAPT P10636 2/20 0.62
TP53 P04637 1/20 0.62
CYP3A4 P08684 1/20 0.62
ALOX15 P16050 1/20 0.62
MAPK1 P28482 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
PLD2 O14939 3/20 0.51
PLD1 Q13393 3/20 0.51
CCR2 P41597 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
AVPR1A P37288 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
DGAT1 O75907 1/20 0.39
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
CALCRL Q16602 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL8220634 0.86 TP53 (0.62) TSHRMAPTTP53CYP3A4ALOX15
SCHEMBL3281974 0.84 TP53 (0.60) TSHRMAPTTP53CYP3A4ALOX15
SCHEMBL8011901 0.83 TP53 (0.58) TSHRMAPTTP53CYP3A4ALOX15
SCHEMBL1700111 0.82 TP53 (0.56) TSHRMAPTTP53CYP3A4ALOX15
SCHEMBL3973158 0.81 TP53 (0.53) TSHRMAPTTP53CYP3A4ALOX15
SCHEMBL31122179 0.80 TSHR (0.74) TSHRMAPTTP53CYP3A4ALOX15
SCHEMBL31122177 0.80 TSHR (0.67) TSHRMAPTTP53CYP3A4ALOX15
SCHEMBL10915131 0.79 SIGMAR1 (0.66) TSHRMAPTTP53CYP3A4ALOX15
SCHEMBL13314880 0.78 PLD2 (0.58) TSHRMAPTTP53CYP3A4ALOX15
SCHEMBL12926194 0.78 TSHR (0.74) TSHRMAPTTP53CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152176-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-17 US disclosed
US-20100152176-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-17 US disclosed
US-7696201-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-13 US disclosed
US-7696201-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-13 US disclosed
US-20080176843-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-07-24 US disclosed
US-20080176843-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-07-24 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-20080176843-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 TSHR 131/4885MAPT 2337/4885TP53 4383/4885
US-20100152176-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 TSHR 131/4885MAPT 2337/4885TP53 4383/4885

“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.