SCHEMBL30735904

SCHEMBL30735904

CCC1(CC)CC(=O)c2ccccc2O1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
SIGMAR1 Q99720 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
EPHX2 P34913 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAOB P27338 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL11387812 1.00 ATM (0.48) ATMSIGMAR1CNR1CNR2ADRA1D
SCHEMBL7207568 0.83 ATM (0.43) ATMSIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL2320079 0.83 SIGMAR1 (0.46) ATMSIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL14666732 0.79 HTR2C (0.50) ATMCNR1CNR2MAOB
SCHEMBL7466569 0.79 KDM4E (0.60) ATMCNR1CNR2MAOBMAPT
SCHEMBL3029269 0.78 ALDH1A1 (0.66) MAOBMAPT
SCHEMBL3322611 0.78 MAPT (0.43) ATMCNR1CNR2MAOBMAPT
SCHEMBL20587128 0.78 MAPT (0.47) ATMCNR1CNR2MAOBMAPT
SCHEMBL30953660 0.78 HASPIN (0.38) CNR1CNR2
SCHEMBL2319623 0.78 MAOB (0.47) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317728-A1 COMPOUNDS AND METHODS OF PREPARING COMPOUNDS S1P1 MODULATORS TREVENA, INC. 2024-09-26 US disclosed
US-11884655-B2 Compounds and methods of preparing compounds S1P1 modulators TREVENA, INC. (US) 2024-01-30 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 (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-20240317728-A1 COMPOUNDS AND METHODS OF PREPARING COMPOUNDS S1P1 MODULATORS S1PR1, S1PR2, S1PR5 ATM 3694/4885SIGMAR1 736/4885CNR1 29/4885
US-11884655-B2 Compounds and methods of preparing compounds S1P1 modulators S1PR1, S1PR2, S1PR5 ATM 3694/4885SIGMAR1 736/4885CNR1 29/4885

“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.