SCHEMBL27269490

SCHEMBL27269490

CC(C)(C)c1c(F)cccc1-c1ncccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.40
▸ GABRG2 P18507 6/20 0.39
▸ GABRB3 P28472 6/20 0.39
▸ GABRA5 P31644 6/20 0.39
▸ GABRA3 P34903 6/20 0.39
▸ GABRA1 P14867 5/20 0.38
▸ PTPRC P08575 2/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ PTPN13 Q12923 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ TDP2 O95551 1/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ PLCG1 P19174 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ RIN1 Q13671 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.37

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
SCHEMBL18196005 0.82 HCRTR1 (0.33) TRPV1TDP1HCRTR1HCRTR2KDM4E
SCHEMBL27269487 0.78 KDM4E (0.42) BLMTDP1HCRTR1HCRTR2KDM4E
SCHEMBL29117972 0.72 TDP2 (0.41) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL79047 0.72 ACHE (0.39) GABRA1CES1GAAPDK2
SCHEMBL15624391 0.72 TDP1 (0.44) TRPV1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17045827 0.71 S100A4 (0.44) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL15853167 0.71 MAPT (0.38) KMT2AMEN1ALDH1A1
SCHEMBL7496509 0.70 BCHE (0.49) GABRG2GABRB3GABRA5GABRA3GAA
SCHEMBL12480391 0.70 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL15674961 0.70 ALDH1A1 (0.50) TRPV1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208981-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-27 — — US disclosed
US-20240208981-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-27 — — 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-20240208981-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF HCRTR1, HCRTR2, CCKBR TRPV1 196/4885GABRG2 520/4885GABRB3 438/4885

“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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