SCHEMBL23467565

SCHEMBL23467565

CC(C)c1ccc(N2CCCC[C@H]([C@H](C)O)C2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.38
▸ MAPT P10636 3/20 0.36
▸ CDK4 P11802 4/20 0.34
▸ CDK6 Q00534 4/20 0.34
▸ SYK P43405 2/20 0.34
▸ CCND1 P24385 2/20 0.34
▸ CCND3 P30281 1/20 0.34
▸ CHRNB2 P17787 2/20 0.34
▸ CHRNA4 P43681 2/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ CAMK1D Q8IU85 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ BMPR1B O00238 1/20 0.33
▸ BMPR1A P36894 1/20 0.33

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
SCHEMBL23107214 0.96 PRKDC (0.35) ACKR3MAPTSYKCHRNB2CHRNA4
SCHEMBL23103154 0.96 PRKDC (0.35) ACKR3MAPTSYKCHRNB2CHRNA4
SCHEMBL23103153 0.96 PRKDC (0.35) ACKR3MAPTSYKCHRNB2CHRNA4
SCHEMBL23103159 0.96 PRKDC (0.35) ACKR3MAPTSYKCHRNB2CHRNA4
SCHEMBL23103163 0.96 PRKDC (0.35) ACKR3MAPTSYKCHRNB2CHRNA4
SCHEMBL23103862 0.85 HRH3 (0.40) MAPTSYKHRH3
SCHEMBL23103165 0.85 HRH3 (0.40) MAPTSYKHRH3
SCHEMBL23108854 0.85 HRH3 (0.40) MAPTSYKHRH3
SCHEMBL12695049 0.84 MAPT (0.46) MAPTCDK4CDK6CCND1CHRNB2
SCHEMBL23103158 0.84 ALDH1A1 (0.39) ACKR3MAPTSYKCHRNB2CHRNA4

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-11028085-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists Nimbus Saturn, Inc. (US) 2021-06-08 — — 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-11028085-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists HIPK1, PDXK, IP6K1 ACKR3 626/4885MAPT 3245/4885CDK4 799/4885

“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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