SCHEMBL26720683

SCHEMBL26720683

O=c1cc(-c2cc(C(F)(F)F)ccc2OCc2ccccc2)[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTR2B P41595 1/20 0.49
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
CTSV O60911 4/20 0.45
CTSL P07711 4/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
TUBB4A P04350 1/20 0.45
TP53 P04637 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
HPGD P15428 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45

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
SCHEMBL26847058 0.86 CTSV (0.50) CTSVCTSLKDM4ELMNATUBB4A
SCHEMBL26846937 0.84 ABCG2 (0.52) CTSVCTSLKDM4ELMNATUBB4A
SCHEMBL26685280 0.83 CTSV (0.54) CTSVCTSLKDM4ELMNATUBB4A
SCHEMBL26847060 0.81 KDM4E (0.45) CTSVCTSLKDM4ELMNATUBB4A
SCHEMBL26723104 0.79 CTSV (0.46) CTSVCTSLKDM4ELMNATUBB4A
SCHEMBL26846979 0.78 KDM4E (0.49) CTSVCTSLKDM4ELMNATUBB4A
SCHEMBL26720686 0.78 CTSV (0.59) CTSVCTSLKDM4ELMNATUBB4A
SCHEMBL26722951 0.77 KDM4E (0.51) CTSVCTSLKDM4ELMNATUBB4A
SCHEMBL26847070 0.77 KDM4E (0.51) CTSVCTSLKDM4ELMNATUBB4A
SCHEMBL26846933 0.76 KDM4E (0.52) CTSVCTSLKDM4ELMNATUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
WO-2023205463-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 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 (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-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 HTR2C 178/4885SLC6A4 197/4885HTR2B 317/4885

“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.