SCHEMBL21648535

SCHEMBL21648535

C[C@]12C=CC(=O)C[C@H]1N1CCc3c([nH]c4ccccc34)[C@@H]1CO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.42
▸ ADRA1D P25100 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ KIF11 P52732 1/20 0.39
▸ PDE5A O76074 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ PRKCB P05771 1/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ABCB1 P08183 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
SCHEMBL21648518 1.00 CHRNA7 (0.42) CHRNA7ADRA1DADRA1AADRA1BPOLB
SCHEMBL21648536 1.00 CHRNA7 (0.42) CHRNA7ADRA1DADRA1AADRA1BPOLB
SCHEMBL21648505 0.85 MAPKAPK2 (0.46) ADRA1DADRA1ACYP1A2MAPTSMN1; SMN2
SCHEMBL21648537 0.85 MAPKAPK2 (0.46) ADRA1DADRA1ACYP1A2MAPTSMN1; SMN2
SCHEMBL21648540 0.85 MAPKAPK2 (0.46) ADRA1DADRA1ACYP1A2MAPTSMN1; SMN2
SCHEMBL21648522 0.79 CHRNA7 (0.45) CHRNA7ADRA1DADRA1AADRA1BPOLB
SCHEMBL21648521 0.79 CHRNA7 (0.45) CHRNA7ADRA1DADRA1AADRA1BPOLB
SCHEMBL21648554 0.78 MEN1 (0.53) PDE5ATSHRHTTMEN1KMT2A
SCHEMBL21648510 0.77 CHRNA7 (0.43) CHRNA7ADRA1DADRA1AADRA1BPOLB
SCHEMBL21648542 0.77 CHRNA7 (0.43) CHRNA7ADRA1DADRA1AADRA1BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185823-A1 Prevention, Prophylactic and Therapeutic Treatment of Autoimmune Diseases Including Multiple Sclerosis Using Novel Small Molecules and Compositions Thereof UNIVERSITY OF SHARJAH (AE) 2022-06-16 — — US disclosed
US-20210179605-A1 Discovery of Novel First in Class Nature-Inspired Compounds Targeting the Mitochondrial Function and Pharmaceutical Composition Thereof UNIVERSITY OF SHARJAH (AE) 2021-06-17 — — US disclosed
WO-2020021489-A2 DISCOVERY OF NOVEL FIRST IN CLASS NATURE-INSPIRED COMPOUNDS TARGETING THE MITOCHONDRIAL FUNCTION AND PHARMACEUTICAL COMPOSITION THEREOF UNIVERSITY OF SHARJAH (AE) 2020-01-30 — — 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 (2 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-20210179605-A1 Discovery of Novel First in Class Nature-Inspired Compounds Targeting the Mitochondrial Function and Pharmaceutical Composition Thereof NDUFAB1, TFAM, CS CHRNA7 4876/4885ADRA1D 4449/4885ADRA1A 4327/4885
US-20220185823-A1 Prevention, Prophylactic and Therapeutic Treatment of Autoimmune Diseases Including Multiple Sclerosis Using Novel Small Molecules and Compositions Thereof HLA-DRB1, SSB, MSR1 CHRNA7 1157/4885ADRA1D 4540/4885ADRA1A 4465/4885

“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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