SCHEMBL18713751

SCHEMBL18713751

CCCc1ccc2c(c1)CCN(C)C2=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.51
▸ HTR2A P28223 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ AOC3 Q16853 2/20 0.45
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ OPRD1 P41143 1/20 0.41
▸ KCNJ1 P48048 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ PRF1 P14222 1/20 0.39

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
SCHEMBL18713944 0.89 OPRD1 (0.51) GRM5MEN1KMT2AAOC3OPRD1
SCHEMBL16456387 0.88 GRM5 (0.54) GRM5HTR2AHTR2CHTR2BMEN1
SCHEMBL12489174 0.83 GRM5 (0.52) GRM5MEN1KMT2AAOC3ITGB3
SCHEMBL18865654 0.83 GRM5 (0.52) GRM5MEN1KMT2AAOC3ITGB3
SCHEMBL25188872 0.83 GRM5 (0.52) GRM5MEN1KMT2AAOC3OPRD1
SCHEMBL24253347 0.81 GRM5 (0.50) GRM5MEN1KMT2AAOC3OPRD1
SCHEMBL13263654 0.78 HTR2C (0.50) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL18053937 0.76 GRM5 (0.57) GRM5MEN1KMT2AAOC3OPRD1
SCHEMBL424393 0.76 GRM5 (0.57) GRM5HTR2AHTR2CHTR2BMEN1
SCHEMBL8218196 0.75 HTR2A (0.51) HTR2AHTR2CHTR2BMEN1KMT2A

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
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 — — WO disclosed
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 — — WO disclosed
US-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 — — US disclosed
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2017-04-06 — — 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 (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-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A GRM5 1170/4885HTR2A 14/4885HTR2C 13/4885

“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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