SCHEMBL26782296

SCHEMBL26782296

CC(N)CCCn1ccc2cc(Br)c(F)c(F)c2c1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 11/20 0.36
▸ HTR2A P28223 10/20 0.36
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ GRM2 Q14416 5/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ TNF P01375 2/20 0.32
▸ PSMB1 P20618 1/20 0.31
▸ PSMB5 P28074 1/20 0.31

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
SCHEMBL30550680 0.91 HTR2C (0.32) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL25322487 0.91 HTR2C (0.32) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL25898525 0.83 HTR2C (0.40) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL25321710 0.80 TNF (0.39) GRM2HDAC3HDAC1HDAC6TNF
SCHEMBL25323865 0.74 GRM2 (0.34) GRM2
SCHEMBL25897715 0.74 HTR2A (0.49) HTR2CHTR2AGRM2HDAC3HDAC1
SCHEMBL25899446 0.73 BRD4 (0.38) —
SCHEMBL25322354 0.71 TNF (0.32) TNF
SCHEMBL30550743 0.71 TNF (0.32) TNF
SCHEMBL26782295 0.71 TNF (0.32) TNF

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-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 — — 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-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 HTR2C 1861/4885HTR2A 2837/4885CYP1A2 2422/4885

“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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