SCHEMBL1713815

SCHEMBL1713815

COc1ccc(CNc2ccc(-c3cccnc3)cn2)cc1OC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.57
GPR55 Q9Y2T6 1/20 0.52
TPH1 P17752 1/20 0.51
CTSD P07339 1/20 0.49
BACE1 P56817 1/20 0.49
BACE2 Q9Y5Z0 1/20 0.49
PDE4B Q07343 6/20 0.47
PDE4D Q08499 5/20 0.47
PDE4C Q08493 4/20 0.47
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
RECQL P46063 1/20 0.46
ABCB1 P08183 2/20 0.44
ABCC1 P33527 2/20 0.44
SMPD1 P17405 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 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
SCHEMBL1713537 0.85 PDE4A (0.56) PDE4ATPH1CTSDBACE1BACE2
SCHEMBL27726708 0.83 PDE4B (0.55) PDE4APDE4BPDE4DPDE4CRECQL
SCHEMBL1713655 0.82 TPH1 (0.51) PDE4ATPH1PDE4BPDE4DPDE4C
Hydrochloric Acid SCHEMBL8203396 0.80 PDE4A (0.77) PDE4ACTSDBACE1BACE2PDE4B
SCHEMBL3122409 0.79 PDE4A (0.52) PDE4ACTSDBACE1BACE2PDE4B
SCHEMBL10119769 0.78 MAPT (0.64) GPR55TPH1
SCHEMBL27838525 0.77 PDE4A (0.46) PDE4ATPH1CTSDBACE1BACE2
SCHEMBL7940449 0.77 RECQL (0.55) PDE4ATPH1PDE4BPDE4DPDE4C
SCHEMBL986245 0.77 PDE4A (0.60) PDE4APDE4BPDE4DPDE4C
SCHEMBL307931 0.76 TPH1 (0.49) PDE4ATPH1PDE4BPDE4DPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102186476-A Tryptophan hydroxylase inhibitors and methods of their use LEXICON PHARMACEUTICALS INC 2011-09-14 CN disclosed
EP-2344160-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2011-07-20 EP disclosed
US-20100087433-A1 Methods of inhibiting tryptophan hydroxylase LEXICON PHARMACEUTICALS, INC. 2010-04-08 US disclosed
US-20100087433-A1 Methods of inhibiting tryptophan hydroxylase LEXICON PHARMACEUTICALS, INC. 2010-04-08 US disclosed
US-20100087433-A1 Methods of inhibiting tryptophan hydroxylase LEXICON PHARMACEUTICALS, INC. 2010-04-08 US disclosed
WO-2010039957-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2010-04-08 WO disclosed
WO-2010039957-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2010-04-08 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-20100087433-A1 Methods of inhibiting tryptophan hydroxylase TPH1, TPH2, HNMT PDE4A 950/4885GPR55 2627/4885TPH1 1/4885

“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.