SCHEMBL3660045

SCHEMBL3660045

COC(=O)C1CCN(C(=O)c2ccc(N)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.69
MGLL Q99685 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
GAA P10253 2/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 5/20 0.52
LMNA P02545 2/20 0.51
DHFR P00374 2/20 0.51
HSD11B1 P28845 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EPHX2 P34913 1/20 0.50

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
SCHEMBL10724061 0.92 TSHR (0.78) TSHRMGLLCYP1A2CYP3A4CYP2D6
SCHEMBL20116458 0.86 TSHR (0.66) TSHRMGLLCYP1A2CYP3A4CYP2D6
SCHEMBL2835506 0.85 TSHR (0.68) TSHRMGLLGAAMEN1KMT2A
SCHEMBL3659481 0.84 TSHR (0.76) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1299296 0.83 SMN1; SMN2 (0.71) TSHRMGLLGAAPOLBMEN1
SCHEMBL8410650 0.82 TSHR (0.62) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL22123601 0.82 ALDH1A1 (0.55) TSHRMGLLCYP1A2CYP3A4CYP2D6
SCHEMBL19915895 0.82 MGLL (0.56) MGLLGAAPOLBMEN1KMT2A
SCHEMBL29067078 0.81 MAPT (0.71) TSHRMGLLGAAPOLBMEN1
SCHEMBL3004296 0.81 SMN1; SMN2 (0.70) MGLLGAAPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234998-B1 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION TYDOCK PHARMA S R L (IT) 2015-08-19 EP disclosed
US-20100305134-A1 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION TYDOCK PHARMA S.R.L. (IT) 2010-12-02 US disclosed
EP-2234998-A2 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION Tydock Pharma S.r.l. (IT) 2010-10-06 EP disclosed
WO-2009080367-A2 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION TYDOCKPHARMA S.R.L. (IT) 2009-07-02 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 (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-20100305134-A1 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION QDPR, DHFR, DDC TSHR 892/4885MGLL 3378/4885CYP1A2 111/4885

“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.