SCHEMBL1660259

SCHEMBL1660259

O=C(c1cnc(C#Cc2ccccc2)s1)N1CCOCC1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.78
HTR2C P28335 1/20 0.53
HPGD P15428 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 2/20 0.46
SLC8A1 P32418 2/20 0.45
PLAUR Q03405 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1658412 0.89 GRM5 (0.93) GRM5
SCHEMBL1657521 0.89 GRM5 (0.97) GRM5
SCHEMBL1658404 0.88 GRM5 (0.61) GRM5HTR2CHPGDNPC1RAB9A
SCHEMBL1657707 0.88 GRM5 (0.61) GRM5HTR2CHPGDL3MBTL1NPC1
SCHEMBL1659646 0.88 GRM5 (0.61) GRM5HTR2CHPGDNPC1RAB9A
SCHEMBL1659774 0.88 GRM5 (0.64) GRM5HTR2CL3MBTL1SLC8A1
SCHEMBL1658229 0.88 GRM5 (1.00) GRM5HPGDALDH1A1SLC8A1
SCHEMBL1657364 0.88 GRM5 (1.00) GRM5HPGDALDH1A1SLC8A1
SCHEMBL1657070 0.87 GRM5 (0.76) GRM5
SCHEMBL1657700 0.87 GRM5 (0.76) GRM5ALDH1A1MAPTTSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440837-B2 2-substituted-ethynylthiazole derivatives and uses of same H. LUNDBECK A/S (DK) 2013-05-14 US claimed
EP-2490541-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. Lundbeck A/S (DK) 2012-08-29 EP claimed
WO-2011050063-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-04-28 WO claimed
US-20110092475-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-04-21 US claimed
US-20130231321-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2013-09-05 US disclosed
US-20130231321-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2013-09-05 US disclosed
US-20130231321-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2013-09-05 US disclosed
US-8440837-B2 2-substituted-ethynylthiazole derivatives and uses of same H. LUNDBECK A/S (DK) 2013-05-14 US disclosed
US-8440837-B2 2-substituted-ethynylthiazole derivatives and uses of same H. LUNDBECK A/S (DK) 2013-05-14 US disclosed
US-8440837-B2 2-substituted-ethynylthiazole derivatives and uses of same H. LUNDBECK A/S (DK) 2013-05-14 US disclosed
US-20110092475-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-04-21 US disclosed
US-20110092475-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-04-21 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-20130231321-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME SULT1E1, SULT2A1, SULT1A1 GRM5 3131/4885HTR2C 1278/4885HPGD 1114/4885
US-20110092475-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME SULT1E1, SULT2A1, SULT1A1 GRM5 3131/4885HTR2C 1278/4885HPGD 1114/4885

“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.