SCHEMBL22603986

SCHEMBL22603986

c1cc(CNC2CCCC[C@H]2NCc2cccc3cc[nH]c23)c2[nH]ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.42
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ MPO P05164 2/20 0.38
▸ TPO P07202 2/20 0.38
▸ SSTR3 P32745 5/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ DRD4 P21917 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ SYK P43405 5/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ ZAP70 P43403 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ BUB1 O43683 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ ROS1 P08922 1/20 0.36
▸ AXL P30530 1/20 0.36
▸ IRAK1 P51617 1/20 0.36

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
SCHEMBL22603988 0.87 HTT (0.49) MPOTPOBRD4
SCHEMBL15672062 0.77 BRD4 (0.39) AHRHTR2AHTR2CMPOTPO
SCHEMBL23023182 0.76 HTR2A (0.46) AHRHTR2AHTR2CMPOTPO
SCHEMBL15805488 0.74 ACHE (0.46) SSTR3
SCHEMBL1253321 0.74 HTR2A (0.47) AHRHTR2AHTR2CBRD4ADORA2A
SCHEMBL15672063 0.72 AHR (0.41) AHRHTR2AHTR2CBRD4DRD4
SCHEMBL11478614 0.71 HTR2A (0.51) AHRHTR2AHTR2CADORA2AADORA1
SCHEMBL13284394 0.70 DRD4 (0.50) AHRMPOTPODRD4JAK2
SCHEMBL8313742 0.69 GLA (0.50) —
SCHEMBL1395817 0.69 HTR2A (0.52) AHRHTR2AHTR2CADORA2AADORA1

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-20200339502-A1 COMPOUNDS FOR USE IN THE ELIMINATION OF PLURIPOTENT STEM CELLS UNIVERSITÄT ZU KÖLN (DE) 2020-10-29 — — 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-20200339502-A1 COMPOUNDS FOR USE IN THE ELIMINATION OF PLURIPOTENT STEM CELLS ALPG, RARB, RARG AHR 2431/4885HTR2A 4300/4885HTR2C 4140/4885

“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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