SCHEMBL19409463

SCHEMBL19409463

O=C(O)NCCC#CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ FFAR1 O14842 2/20 0.41
▸ FFAR4 Q5NUL3 2/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ FBP1 P09467 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ PLAAT5 Q96KN8 1/20 0.38
▸ PLAAT4 Q9UL19 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ MMP1 P03956 1/20 0.38

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
SCHEMBL3870188 0.78 L3MBTL1 (0.50) CYP2D6CYP2C9CYP2C19L3MBTL1EPHX1
SCHEMBL7448019 0.76 FFAR1 (0.57) CYP2C19FFAR1FFAR4SMN1; SMN2
SCHEMBL3869724 0.75 MTNR1A (0.49) TSHRL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL20512252 0.73 MMP8 (0.43) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL3888886 0.73 CALM1 (0.50) CYP1A2CYP2C9TSHRCYP2C19FFAR1
SCHEMBL11135874 0.73 SMN1; SMN2 (0.55) FFAR1FFAR4SMN1; SMN2MCL1HPGD
SCHEMBL7916098 0.73 ALDH1A1 (0.55) FFAR1FFAR4SMN1; SMN2NPC1RAB9A
Phenethylcarbamic Acid SCHEMBL249525 0.72 CA12 (0.68) CA12CA2CA9L3MBTL1EPHX1
SCHEMBL6722156 0.72 TDP1 (0.46) CYP1A2CYP2C9TSHRCYP2C19FFAR1
SCHEMBL6722153 0.72 FFAR1 (0.41) TSHRFFAR1FFAR4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281620-A1 CHEMICALLY AND METABOLICALLY STABLE DIPEPTIDE POSSESSING POTENT SODIUM CHANNEL BLOCKER ACTIVITY PARION SCIENCES, INC. (US) 2017-10-05 — — 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-20170281620-A1 CHEMICALLY AND METABOLICALLY STABLE DIPEPTIDE POSSESSING POTENT SODIUM CHANNEL BLOCKER ACTIVITY CACNA1B, SCN1B, KCNB1 CYP1A2 1686/4885CYP2D6 602/4885CYP2C9 920/4885

“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.

Send feedback