SCHEMBL23565839

SCHEMBL23565839

CC(C)c1ccc(N2CCOCC2)nc1CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.41
▸ CNR2 P34972 3/20 0.38
▸ BCL2 P10415 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ BCL2A1 Q16548 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ CYP11B2 P19099 1/20 0.36
▸ SHMT2 P34897 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ HTR6 P50406 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ APAF1 O14727 1/20 0.35

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
SCHEMBL23565841 0.82 TSHR (0.44) TSHRCNR2GAACYP11B2KMT2A
SCHEMBL26248560 0.75 GAA (0.42) CNR2BCL2MCL1BCL2A1GAA
SCHEMBL23565849 0.72 KDM4E (0.39) USP2ALDH1A1HSD17B10KDM4E
SCHEMBL19301647 0.71 — —
SCHEMBL19301848 0.69 PDE2A (0.38) PIK3C3
SCHEMBL19301849 0.68 HTR2A (0.34) —
SCHEMBL4547898 0.65 GAA (0.48) TSHRCNR2GAAKMT2AMEN1
SCHEMBL20365554 0.64 ALDH1A1 (0.46) CNR2GAAKMT2AMEN1ALDH1A1
SCHEMBL12986149 0.64 HRH4 (0.55) TSHRKMT2AMEN1USP2ALDH1A1
SCHEMBL24713247 0.64 GAA (0.43) TSHRGAACYP11B2SHMT2KMT2A

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-11198681-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-12-14 — — US disclosed
US-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-24 — — 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 (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-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 TSHR 3984/4885CNR2 4604/4885BCL2 4157/4885
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 TSHR 3984/4885CNR2 4604/4885BCL2 4157/4885

“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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