SCHEMBL29390977

SCHEMBL29390977

Cc1cc(NC(=O)c2cc(Br)c(C(F)(F)C(=O)N3CCC(O)CC3)n2C)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 2/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ EPHX2 P34913 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ KCNJ6 P48051 1/20 0.35
▸ KCNJ5 P48544 1/20 0.35
▸ KCNJ3 P48549 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34

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
SCHEMBL21062175 1.00 DRD4 (0.36) DRD4TMEM97SIGMAR1EPHX2POLB
SCHEMBL21062119 0.84 CYP3A4 (0.38) DRD4TMEM97SIGMAR1EPHX2POLB
SCHEMBL29387941 0.84 CYP3A4 (0.38) DRD4TMEM97SIGMAR1EPHX2POLB
SCHEMBL29390420 0.83 CYP3A4 (0.40) DRD4TMEM97SIGMAR1EPHX2POLB
SCHEMBL21146066 0.83 CYP3A4 (0.40) DRD4TMEM97SIGMAR1EPHX2POLB
SCHEMBL21062481 0.81 MAPT (0.46) POLBMAPTALDH1A1HTR2BMEN1
SCHEMBL29387691 0.81 MAPT (0.46) POLBMAPTALDH1A1HTR2BMEN1
SCHEMBL21145868 0.79 HTR2B (0.42) POLBMAPTALDH1A1HTR2BMEN1
SCHEMBL29390725 0.79 HTR2B (0.42) POLBMAPTALDH1A1HTR2BMEN1
SCHEMBL21145814 0.79 ACKR3 (0.40) DRD4TMEM97SIGMAR1POLBMAPT

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-11247965-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2022-02-15 — — 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-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP DRD4 4842/4885TMEM97 569/4885SIGMAR1 3122/4885

“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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