SCHEMBL20539012

SCHEMBL20539012

CCCCCCCCc1cn[nH]c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.47
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP3A4 P08684 2/20 0.47
LMNA P02545 1/20 0.47
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.47
HSPD1 P10809 1/20 0.47
ADRB3 P13945 1/20 0.47
HTR2C P28335 1/20 0.47
HSPE1 P61604 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL10948171 1.00 PTGS2 (0.47) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL26999527 1.00 PTGS2 (0.47) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL2541661 1.00 PTGS2 (0.47) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL458851 0.98 TDP1 (0.44) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4630135 0.92
SCHEMBL24866428 0.89 AKT2 (0.44) ALDH1A1LMNA
SCHEMBL4629685 0.83
SCHEMBL30481634 0.81 PTGS2 (0.44) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL2539938 0.80 AKT2 (0.39) LMNA
SCHEMBL24291858 0.79 NOS2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024006841-A2 COMPOSITIONS FOR WEIGHT LOSS AND CANCER TREATMENT KNOWLEDGE PHARMACEUTICALS INC. (US) 2024-01-04 WO disclosed
US-20220296584-A1 Membrane Active Molecules KNOWLEDGE PHARMACEUTICALS INC. 2022-09-22 US disclosed
EP-3973997-A1 MEMBRANE ACTIVE MOLECULES Branequest, Inc. (US) 2022-03-30 EP disclosed
US-20200375958-A1 MEMBRANE ACTIVE MOLECULES KNOWLEDGE PHARMACEUTICALS INC. 2020-12-03 US disclosed
EP-3615084-A1 MEMBRANE ACTIVE MOLECULES Branequest, Inc. (US) 2020-03-04 EP disclosed
WO-2018200412-A1 MEMBRANE ACTIVE MOLECULES BraneQuest, Inc. (US) 2018-11-01 WO disclosed
US-20180303821-A1 MEMBRANE ACTIVE MOLECULES KNOWLEDGE PHARMACEUTICALS INC. 2018-10-25 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 (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-20220296584-A1 Membrane Active Molecules GABRP, GRIN3A, GRIN2A PTGS2 286/4885ESR1 2282/4885ADRA2A 195/4885
US-20180303821-A1 MEMBRANE ACTIVE MOLECULES GABRP, GRIN3A, GRIN2A PTGS2 286/4885ESR1 2282/4885ADRA2A 195/4885
US-20200375958-A1 MEMBRANE ACTIVE MOLECULES GABRP, GRIN3A, GRIN2A PTGS2 286/4885ESR1 2282/4885ADRA2A 195/4885

“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.