SCHEMBL20820718

SCHEMBL20820718

O=C(OCCCN1CCCC1)c1ccccc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ RXFP1 Q9HBX9 6/20 0.56
▸ SLC6A2 P23975 1/20 0.55
▸ HTR2A P28223 1/20 0.55
▸ OPRK1 P41145 1/20 0.55
▸ HTR2B P41595 1/20 0.55
▸ SLC6A3 Q01959 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ YAP1 P46937 1/20 0.53
▸ TEAD4 Q15561 1/20 0.53
▸ TEAD2 Q15562 1/20 0.53
▸ HRH3 Q9Y5N1 3/20 0.51
▸ EPHX2 P34913 1/20 0.48
▸ TRPV4 Q9HBA0 1/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ MPO P05164 1/20 0.44

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
Ufenamate SCHEMBL29376700 0.83 CYP1A2 (0.72) LMNACYP1A2CYP2C9CYP2C19RXFP1
Ufenamate SCHEMBL36095 0.83 CYP1A2 (0.72) LMNACYP1A2CYP2C9CYP2C19RXFP1
SCHEMBL12715082 0.82 LMNA (0.91) LMNACYP1A2CYP2C9CYP2C19RXFP1
SCHEMBL11579676 0.80 LMNA (0.67) LMNACYP1A2CYP2C9CYP2C19RXFP1
SCHEMBL11809785 0.80 LMNA (0.56) LMNACYP1A2CYP2C9CYP2C19RXFP1
Hydrochloric Acid SCHEMBL11816840 0.79 LMNA (0.55) LMNACYP1A2CYP2C9CYP2C19RXFP1
SCHEMBL10597386 0.79 LMNA (0.71) LMNACYP1A2CYP2C9CYP2C19RXFP1
Etofenamate SCHEMBL25152 0.79 LMNA (1.00) LMNACYP1A2CYP2C9CYP2C19RXFP1
SCHEMBL3812938 0.79 LMNA (0.70) LMNACYP1A2CYP2C9CYP2C19RXFP1
Colfenamate SCHEMBL2110641 0.77 LMNA (0.68) LMNACYP1A2CYP2C9CYP2C19RXFP1

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-10233198-B2 Pro-drugs of NSAIAs with very high skin and membranes penetration rates and their new medicinal uses TECHFIELDS PHARMA CO., LTD. (CN) 2019-03-19 — — 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-10233198-B2 Pro-drugs of NSAIAs with very high skin and membranes penetration rates and their new medicinal uses MYLK2, ALPI, SLC2A2 LMNA 13/4885CYP1A2 3524/4885CYP2C9 3975/4885

“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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