SCHEMBL23165692

SCHEMBL23165692

COC(=O)c1ccc(N2CCNCC2Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
MGLL Q99685 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HTT P42858 2/20 0.39
ADRB1 P08588 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL21751755 1.00 OPRD1 (0.45) OPRD1ALDH1A1HPGDALOX15MGLL
SCHEMBL5742221 0.85 OPRD1 (0.46) OPRD1ALDH1A1HPGDALOX15MGLL
SCHEMBL28881539 0.84 OPRD1 (0.45) OPRD1ALDH1A1HPGDALOX15MGLL
Hydrochloric Acid SCHEMBL28932661 0.83 OPRD1 (0.44) OPRD1ALDH1A1HPGDALOX15MGLL
SCHEMBL28548432 0.80 OPRD1 (0.42) OPRD1ALDH1A1HPGDALOX15MGLL
SCHEMBL28594704 0.77 OPRD1 (0.50) OPRD1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28916722 0.76 ADRB1 (0.42) OPRD1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28916720 0.76 ADRB1 (0.42) OPRD1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL532602 0.75 ALDH1A1 (0.65) OPRD1ALDH1A1HPGDALOX15MGLL
SCHEMBL27906251 0.74 OPRD1 (0.45) OPRD1ALDH1A1MAPTADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295183-A1 HOT MELT EXTRUDED SOLID DISPERSIONS CONTAINING A BCL2 INHIBITOR NEWAVE PHARMACEUTICAL INC. 2023-09-21 US disclosed
CN-116270660-A Bcl-2/Bcl-xl inhibitor-containing composition and preparation method and application thereof 广州麓鹏制药有限公司 2023-06-23 CN disclosed
CN-116236583-A Bcl-2/Bcl-xl inhibitor-containing composition and preparation method and application thereof 广州麓鹏制药有限公司 2023-06-09 CN disclosed
CN-115484933-A Hot melt extrusion solid dispersions containing BCL2 inhibitors 广州麓鹏制药有限公司 2022-12-16 CN disclosed
US-20220372042-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2022-11-24 US disclosed
US-20210315904-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2021-10-14 US disclosed
WO-2021066873-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2021-04-08 WO disclosed
CN-102307872-A BCL-2-selectively apoptosis-inducing agents for the treatment of cancer and immune diseases ABBOTT LAB 2012-01-04 CN 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-20230295183-A1 HOT MELT EXTRUDED SOLID DISPERSIONS CONTAINING A BCL2 INHIBITOR BCL2, BCL2L1, BCL2L2 OPRD1 4447/4885ALDH1A1 4647/4885HPGD 3322/4885
US-20210315904-A1 BCL-2 INHIBITORS BCL2L10, BCL2, BCL2L11 OPRD1 2158/4885ALDH1A1 3743/4885HPGD 913/4885
US-20220372042-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS BCL2L11, BCL2L10, BCL2 OPRD1 1900/4885ALDH1A1 3666/4885HPGD 439/4885

“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.