SCHEMBL7749049

SCHEMBL7749049

CC(C)c1[nH]c2ccccc2c1CCN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.52
CHRNB2 P17787 2/20 0.51
CHRNA7 P36544 2/20 0.51
CHRNA4 P43681 2/20 0.51
HTR6 P50406 5/20 0.49
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
HTR1D P28221 2/20 0.41
HTR2A P28223 2/20 0.41

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
SCHEMBL8253461 0.85 CHRNB2 (0.56) TBXAS1CHRNB2CHRNA7CHRNA4HTR6
SCHEMBL13408067 0.81 TBXAS1 (0.56) TBXAS1CHRNB2CHRNA7CHRNA4HTR6
SCHEMBL9499656 0.80 CHRNA7 (0.43) TBXAS1CHRNB2CHRNA7CHRNA4HTR6
SCHEMBL16299526 0.78 CYP19A1 (0.53) CHRNB2CHRNA7CHRNA4HTR6MAPT
SCHEMBL29415611 0.77 ALDH1A1 (0.69) HTR6MAPTMAPK1NPSR1ALDH1A1
SCHEMBL1424220 0.77 ALDH1A1 (0.69) HTR6MAPTMAPK1NPSR1ALDH1A1
SCHEMBL12425596 0.77 TBXAS1 (0.56) TBXAS1CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL11348399 0.77 MAPT (0.65) TBXAS1CHRNB2CHRNA7CHRNA4HTR6
SCHEMBL6216616 0.77 CHRNB2 (0.55) TBXAS1CHRNB2CHRNA7CHRNA4HTR6
SCHEMBL11965205 0.77 TBXAS1 (0.52) TBXAS1CHRNB2CHRNA7CHRNA4HTR6

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-20230219888-A1 PRENYLATED PSILOCYBIN DERIVATIVES AND METHODS OF USING MAGICMED INDUSTRIES INC. (CA) 2023-07-13 US disclosed
EP-1071664-A1 SUBSTITUTED 2-OXO-ALKANOIC ACID- 2-(INDOL-3-YL)-ETHYL] AMIDES BAYER AG (DE) 2001-01-31 EP disclosed
WO-1999054301-A1 SUBSTITUTED 2-OXO-ALKANOIC ACID-[2-(INDOL-3-YL)-ETHYL] AMIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-10-28 WO disclosed
EP-0201735-B1 N-INDOLYLETHYL SULFON AMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1990-09-12 EP disclosed
US-4774240-A ANTICOAGULANTS, ANTIALLERGENS, ANTIHISTAMINES BAYER AKTIENGESELLSCHAFT (DE) 1988-09-27 US disclosed
EP-0201735-A1 N-indolylethyl sulfon amides, process for their preparation and their use BAYER AG (DE) 1986-11-20 EP 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-20230219888-A1 PRENYLATED PSILOCYBIN DERIVATIVES AND METHODS OF USING AANAT, ACAT2, PCYT1A TBXAS1 469/4885CHRNB2 739/4885CHRNA7 1121/4885

“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.