SCHEMBL360411

SCHEMBL360411

O=C(NC1CCCCC1)[C@H](O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
EPHX1 P07099 3/20 0.57
LMNA P02545 1/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C19 P33261 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
RAB9A P51151 3/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPSR1 Q6W5P4 3/20 0.53
GAA P10253 3/20 0.53
EPHX2 P34913 2/20 0.53
NPC1 O15118 1/20 0.53
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
CCR1 P32246 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL19215278 1.00 TSHR (0.62) TSHREPHX1LMNACYP3A4CYP2C19
SCHEMBL4618168 1.00 TSHR (0.62) TSHREPHX1LMNACYP3A4CYP2C19
SCHEMBL360412 1.00 TSHR (0.62) TSHREPHX1LMNACYP3A4CYP2C19
SCHEMBL4620504 0.98 TSHR (0.60) TSHREPHX1LMNACYP3A4CYP2C19
SCHEMBL14050745 0.85 CCR1 (0.68) TSHREPHX1LMNACYP3A4CYP2C19
SCHEMBL17294675 0.84 SOS1 (0.48) TSHREPHX1LMNACYP3A4CYP2C19
SCHEMBL17294658 0.84 SOS1 (0.48) TSHREPHX1LMNACYP3A4CYP2C19
SCHEMBL17294673 0.84 SOS1 (0.48) TSHREPHX1LMNACYP3A4CYP2C19
SCHEMBL28590648 0.82 RAB9A (0.58) TSHREPHX1LMNACYP3A4CYP2C19
SCHEMBL24133917 0.82 TSHR (0.61) TSHREPHX1LMNACYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
EP-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 EP disclosed
CN-103097340-A Therapeutically active compositions and methods of use thereof AGIOS PHARMACEUTICALS INC 2013-05-08 CN disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 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 (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-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A TSHR 4760/4885EPHX1 2602/4885LMNA 2076/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A TSHR 4760/4885EPHX1 2602/4885LMNA 2076/4885

“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.