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SCHEMBL20857072

SCHEMBL20857072

O=C(c1ccc(N2CCOCC2)cc1)N1CCCC(N(Cc2ccccc2)C(=O)CCl)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HTR2B P41595 1/20 0.46
▸ HSD11B1 P28845 1/20 0.45
▸ OPRM1 P35372 1/20 0.44
▸ AGER Q15109 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ HPGD P15428 3/20 0.42
▸ CCR5 P51681 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ HPGDS O60760 1/20 0.42
▸ SNCA P37840 1/20 0.41
▸ L3MBTL3 Q96JM7 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MBTD1 Q05BQ5 1/20 0.40
▸ TP53BP1 Q12888 1/20 0.40
▸ L3MBTL4 Q8NA19 1/20 0.40

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
SCHEMBL20857052 0.87 MAPT (0.44) MAPTGAAHTR2BHSD11B1MGLL
SCHEMBL20857066 0.84 HTT (0.50) GAAHSD11B1OPRM1AGERCHRM2
SCHEMBL22387508 0.82 OPRM1 (0.42) OPRM1AGERCHRM2CHRM3HRH3
SCHEMBL20857058 0.81 KMT2A (0.48) MAPTOPRM1CHRM2CHRM3HPGD
SCHEMBL18790578 0.79 KDM4E (0.51) MAPTGAAHTR2BHSD11B1HPGD
SCHEMBL18790577 0.79 KDM4E (0.51) MAPTGAAHTR2BHSD11B1HPGD
SCHEMBL20857048 0.79 OPRM1 (0.56) OPRM1AGERCHRM2CHRM3CCR5
SCHEMBL20857039 0.78 CYP2C9 (0.55) HTR2BOPRM1CHRM2CHRM3MGLL
SCHEMBL20857036 0.77 AVPR1A (0.48) OPRM1CCR5KCNH2TP53KMT2A
SCHEMBL23175993 0.73 AGER (0.63) OPRM1AGERCHRM2CHRM3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240131032-A1 AN ACTIVITY-GUIDED MAP OF ELECTROPHILE-CYSTEINE INTERACTIONS IN PRIMARY HUMAN IMMUNE CELLS THE SCRIPPS RESEARCH INSTITUTE 2024-04-25 — — US disclosed
US-20220298213-A1 IN VIVO ENGINEERED CEREBLON PROTEIN VIVIDION THERAPEUTICS, INC. 2022-09-22 — — US disclosed
US-20200278355-A1 CONJUGATED PROTEINS AND USES THEREOF SCRIPPS RESEARCH INST (US) 2020-09-03 — — US disclosed
US-20200278355-A1 CONJUGATED PROTEINS AND USES THEREOF SCRIPPS RESEARCH INST (US) 2020-09-03 — — US disclosed
EP-3688472-A1 CONJUGATED PROTEINS AND USES THEREOF The Scripps Research Institute (US) 2020-08-05 — — EP disclosed
WO-2019067741-A1 CONJUGATED PROTEINS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2019-04-04 — — WO 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 (3 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-20220298213-A1 IN VIVO ENGINEERED CEREBLON PROTEIN CRBN, CDR2, DCUN1D4 MAPT 4213/4885GAA 4676/4885HTR2B 4518/4885
US-20200278355-A1 CONJUGATED PROTEINS AND USES THEREOF KEAP1, GSTK1, GSTM2 MAPT 3761/4885GAA 4021/4885HTR2B 4434/4885
US-20240131032-A1 AN ACTIVITY-GUIDED MAP OF ELECTROPHILE-CYSTEINE INTERACTIONS IN PRIMARY HUMAN IMMUNE CELLS GSTK1, GSTA2, GSTA1 MAPT 4158/4885GAA 3024/4885HTR2B 4785/4885

“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.