SCHEMBL3659481

SCHEMBL3659481

CNc1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.76
GAA P10253 2/20 0.55
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 6/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
ACHE P22303 2/20 0.52
BACE1 P56817 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 2/20 0.50
DHFR P00374 1/20 0.50
HTT P42858 1/20 0.50
HPGD P15428 1/20 0.49
ABL1 P00519 1/20 0.49
RIN1 Q13671 1/20 0.49
EPHX2 P34913 1/20 0.49

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 0.91 TSHR (0.78) TSHRGAAPOLBSMN1; SMN2ALDH1A1
SCHEMBL3660045 0.84 TSHR (0.69) TSHRGAAPOLBSMN1; SMN2ALDH1A1
SCHEMBL2835506 0.84 TSHR (0.68) TSHRGAASMN1; SMN2ALDH1A1ACHE
SCHEMBL20116458 0.82 TSHR (0.66) TSHRGAAPOLBSMN1; SMN2ALDH1A1
SCHEMBL1299296 0.82 SMN1; SMN2 (0.71) TSHRGAAPOLBSMN1; SMN2ALDH1A1
SCHEMBL10720174 0.79 TSHR (0.63) TSHRGAAALDH1A1CYP1A2CYP3A4
SCHEMBL8410650 0.79 TSHR (0.62) TSHRGAAPOLBSMN1; SMN2ALDH1A1
SCHEMBL14076575 0.78 HPGD (0.68) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL24495698 0.77 TSHR (0.66) TSHRSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL22106122 0.77 HPGD (0.71) TSHRALDH1A1MEN1KMT2AHTT

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 892/4885GAA 811/4885POLB 456/4885

“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.