SCHEMBL23161886

SCHEMBL23161886

CN1CCN(Nc2cnc3cc(C(C)(C)O)c4nc5ccccc5n4c3n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.38
▸ HRH4 Q9H3N8 4/20 0.35
▸ HTR3A P46098 5/20 0.34
▸ HTR3E A5X5Y0 2/20 0.33
▸ HTR3B O95264 2/20 0.33
▸ HTR3D Q70Z44 2/20 0.33
▸ HTR3C Q8WXA8 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ CCNA2 P20248 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CDK5 Q00535 2/20 0.32
▸ CDK5R1 Q15078 2/20 0.32
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 2/20 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
SCHEMBL23161009 0.83 KDM4E (0.38) LCKHRH4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL23160983 0.83 HRH4 (0.51) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL23161812 0.81 LCK (0.37) LCKHRH4HTR3AHTR3EHTR3B
SCHEMBL23161881 0.78 ALDH1A1 (0.49) LCKSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL23160990 0.77 POLR1A (0.37) ALDH1A1KDM4EGAAHPGDCASP1
SCHEMBL23160995 0.77 KDM4E (0.41) ALDH1A1KDM4EGAAMAPTCASP1
SCHEMBL23161001 0.77 SYK (0.37) NPC1TP53RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20078423 0.75 HTR3A (0.50) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL23161883 0.74 ALDH1A1 (0.44) NPC1TP53RAB9ASMN1; SMN2ALDH1A1
SCHEMBL18057406 0.72 ALDH1A1 (0.36) LCKHRH4NPC1TP53RAB9A

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-20210094952-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2021-04-01 — — 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-20210094952-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 LCK 2332/4885HRH4 4546/4885HTR3A 4237/4885

“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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