SCHEMBL18485330

SCHEMBL18485330

O=C(O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ PKM P14618 1/20 0.49
▸ HTT P42858 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ RECQL P46063 1/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ CHRNB3 Q05901 1/20 0.41
▸ CHRNA6 Q15825 1/20 0.41

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
SCHEMBL18485319 0.93 EPHX2 (0.51) TSHRHPGDPOLBSMN1; SMN2PKM
SCHEMBL2952742 0.89 TSHR (0.57) TSHRHPGDPOLBSMN1; SMN2PKM
SCHEMBL2952745 0.89 TSHR (0.57) TSHRHPGDPOLBSMN1; SMN2PKM
SCHEMBL11158442 0.84 TSHR (0.65) TSHRHPGDPOLBSMN1; SMN2PKM
SCHEMBL2687909 0.84 HPGD (0.49) TSHRHPGDPOLBSMN1; SMN2PKM
SCHEMBL1299276 0.82 HPGD (0.65) TSHRHPGDPOLBSMN1; SMN2HTT
SCHEMBL1299273 0.82 HPGD (0.65) TSHRHPGDPOLBSMN1; SMN2HTT
SCHEMBL1299272 0.82 HPGD (0.65) TSHRHPGDPOLBSMN1; SMN2HTT
SCHEMBL14504673 0.82 HPGD (0.48) TSHRHPGDPOLBSMN1; SMN2PKM
SCHEMBL16424010 0.81 ALDH1A1 (0.45) TSHRHPGDPOLBSMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9878981-B2 Method for producing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-01-30 — — US disclosed
US-20170121286-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-04 — — US disclosed
EP-3130581-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-02-15 — — EP 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-20170121286-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND REN, AGT, AGTR1 TSHR 2004/4885HPGD 589/4885POLB 2175/4885

“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.

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