SCHEMBL25901613

SCHEMBL25901613

CC1(C)OC[C@@H](CCCn2ccc3cc(Br)c(F)c(F)c3c2=O)N1C(=O)OCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.34
▸ CCR5 P51681 2/20 0.33
▸ TRPC3 Q13507 1/20 0.31
▸ TRPC7 Q9HCX4 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ RIN1 Q13671 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GAA P10253 3/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ FAAH O00519 1/20 0.30
▸ PKM P14618 2/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL31058376 1.00 HTR2C (0.34) HTR2CCCR5TRPC3TRPC7ABL1
SCHEMBL31058380 0.88 TNF (0.34) HTR2CCCR5TRPC3TRPC7ABL1
SCHEMBL26782492 0.88 TNF (0.34) HTR2CCCR5TRPC3TRPC7ABL1
SCHEMBL26782493 0.84 CETP (0.33) TRPC3TRPC7NPSR1FAAH
SCHEMBL30550837 0.84 CETP (0.33) TRPC3TRPC7NPSR1FAAH
SCHEMBL25901539 0.77 HTR2C (0.33) HTR2CMEN1KMT2ANPSR1
SCHEMBL30550825 0.77 SCD (0.37) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL26782496 0.77 SCD (0.37) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1568627 0.75 HTR2C (0.47) HTR2CMEN1KMT2ANPSR1GAA
SCHEMBL1568630 0.75 HTR2C (0.47) HTR2CMEN1KMT2ANPSR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459922-B2 PARP7 inhibitors GILEAD SCIENCES, INC. (US) 2025-11-04 — — US disclosed
EP-4469448-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2024-12-04 — — EP disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 — — US disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 — — US disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 — — US disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — 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 (2 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-12459922-B2 PARP7 inhibitors PARP1, PARP11, PARP2 HTR2C 1861/4885CCR5 1476/4885TRPC3 3275/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 HTR2C 1861/4885CCR5 1476/4885TRPC3 3275/4885

“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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