SCHEMBL3184920

SCHEMBL3184920

C=CC[C@@H](C)CCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ GABRP O00591 2/20 0.46
▸ GABRD O14764 2/20 0.46
▸ GABRA1 P14867 2/20 0.46
▸ GABRB1 P18505 2/20 0.46
▸ GABRG2 P18507 2/20 0.46
▸ GABRB3 P28472 2/20 0.46
▸ GABRA5 P31644 2/20 0.46
▸ GABRA3 P34903 2/20 0.46
▸ GABRA2 P47869 2/20 0.46
▸ GABRB2 P47870 2/20 0.46

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
SCHEMBL3185229 1.00 TSHR (0.47) TSHRNFKB1SLC6A2SLC6A4BLM
SCHEMBL3184927 1.00 TSHR (0.47) TSHRNFKB1SLC6A2SLC6A4BLM
SCHEMBL27437674 0.84 ABCC4 (0.34) TSHRNFKB1SLC6A2SLC6A4BLM
SCHEMBL7865081 0.83 GRIK1 (0.31) TSHRMAPTABCC4GRIK1GRIK2
SCHEMBL5085648 0.83 ALDH1A1 (0.38) TSHRMAPTABCC4GRIK1GRIK2
SCHEMBL22500711 0.81 SLC6A2 (0.45) TSHRNFKB1SLC6A2SLC6A4BLM
SCHEMBL27471329 0.81 MAPT (0.47) TSHRNFKB1SLC6A2SLC6A4BLM
SCHEMBL29015828 0.81 MAPT (0.47) TSHRNFKB1SLC6A2SLC6A4BLM
SCHEMBL16063842 0.81 KMT2A (0.39) TSHRNFKB1SLC6A2SLC6A4BLM
SCHEMBL26624386 0.80 SLC6A2 (0.41) TSHRNFKB1SLC6A2SLC6A4BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof NOVARTIS AG 2010-01-28 — — US disclosed
US-7612055-B2 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2009-11-03 — — US disclosed
US-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2007-03-29 — — US disclosed
EP-1682521-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF Novartis AG (CH) 2006-07-26 — — EP disclosed
WO-2005049585-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF NOVARTIS AG (CH) 2005-06-02 — — 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-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof RPS11, MRPL21, RPS4Y1 TSHR 1165/4885NFKB1 1123/4885SLC6A2 3623/4885
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof RPS11, MRPL21, RPS4Y1 TSHR 1165/4885NFKB1 1123/4885SLC6A2 3623/4885

“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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