SCHEMBL12923331

SCHEMBL12923331

C[N+]1(C)CCCC(CC(=O)O)(NC(=O)c2ccc(CCc3ccccc3)o2)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ LPAR1 Q92633 1/20 0.35
▸ GNRHR P30968 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ LMNA P02545 4/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ GSR P00390 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL979474 0.93 ALDH1A1 (0.33) TAAR1PRSS1PRSS2PRSS3LPAR1
Iodide SCHEMBL15590042 0.90 CTDSP1 (0.34) TAAR1PRSS1PRSS2PRSS3GNRHR
SCHEMBL12923305 0.87 TAAR1 (0.39) TAAR1PRSS1PRSS2PRSS3LPAR1
Trifluoroacetic Acid SCHEMBL978104 0.81 ALDH1A1 (0.35) TAAR1PRSS1PRSS2PRSS3LPAR1
SCHEMBL12923328 0.80 PRSS1 (0.38) TAAR1PRSS1PRSS2PRSS3LPAR1
Iodide SCHEMBL977791 0.75 GAA (0.37) TAAR1GNRHRLMNAPOLBMAPT
Trifluoroacetic Acid SCHEMBL980207 0.75 SLC6A9 (0.37) TAAR1PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL977848 0.69 KMT2A (0.37) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12923308 0.68 KDM4E (0.48) PRSS1PRSS2PRSS3LMNAPOLB
SCHEMBL982241 0.68 OPRM1 (0.42) POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680282-B2 Cyclic inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2014-03-25 — — US disclosed
US-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2011-01-20 — — 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-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 TAAR1 3335/4885PRSS1 992/4885PRSS2 1850/4885

“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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