SCHEMBL19400545

SCHEMBL19400545

CCCn1cc(C(C)C)nn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
SMPD1 P17405 4/20 0.34
GBA1 P04062 6/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KCNJ5 P48544 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.31
CYP19A1 P11511 1/20 0.31
SLC9A1 P19634 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
SCHEMBL25715688 0.89 SMPD1 (0.42) HRH4HRH3SMPD1GBA1
SCHEMBL19705718 0.87 SMPD1 (0.48) HRH4HRH3SMPD1GBA1
SCHEMBL10080835 0.85 SMPD1 (0.50) HRH4HRH3SMPD1GBA1
SCHEMBL19245614 0.85 HRH4 (0.34) HRH4HRH3SMPD1GBA1L3MBTL1
SCHEMBL13453642 0.84 SMPD1 (0.41) HRH4HRH3SMPD1GBA1
SCHEMBL7650649 0.83 IDO1 (0.37) HRH4HRH3
SCHEMBL17615109 0.82 NAMPT (0.36) HRH4HRH3IRAK4
SCHEMBL19086059 0.82 NTRK1 (0.37) HRH4HRH3SMPD1GBA1IRAK4
SCHEMBL18089449 0.82 HRH4 (0.35) HRH4HRH3SMPD1IRAK4
SCHEMBL12364362 0.82 HRH4 (0.35) HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024005460-A1 COMPOUND COMPRISING SELF-IMMOLATIVE GROUP AND LIGAND-DRUG CONJUGATE COMPRISING SAME 주식회사 트리오어 2024-01-04 WO disclosed
WO-2024005461-A1 NOVEL LINKER COMPOUND AND LIGAND-DRUG CONJUGATE THEREFOR 주식회사 트리오어 2024-01-04 WO disclosed
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors STORM THERAPEUTICS LIMITED (GB) 2023-08-15 US disclosed
US-20230002378-A1 POLYHETEROCYCLIC COMPOUNDS AS METTL3 INHIBITORS STORM THERAPEUTICS LIMITED (GB) 2023-01-05 US disclosed
US-11052155-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2021-07-06 US disclosed
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-17 US disclosed
US-20180133348-A1 NUCLEAR IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY 2018-05-17 US disclosed
US-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-09-28 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 (6 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-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L HRH4 2715/4885HRH3 1777/4885SMPD1 1158/4885
US-20230002378-A1 POLYHETEROCYCLIC COMPOUNDS AS METTL3 INHIBITORS METTL3, DIMT1, TPMT HRH4 4283/4885HRH3 4235/4885SMPD1 1460/4885
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors METTL3, DIMT1, TPMT HRH4 4283/4885HRH3 4235/4885SMPD1 1460/4885
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L HRH4 2715/4885HRH3 1777/4885SMPD1 1158/4885
US-11052155-B2 Conjugates of CC-1065 analogs and bifunctional linkers PCNA, DCLRE1A, CDC5L HRH4 2830/4885HRH3 1828/4885SMPD1 1337/4885
US-20180133348-A1 NUCLEAR IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF CA9, CA14, CA13 HRH4 1122/4885HRH3 856/4885SMPD1 450/4885

“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.