SCHEMBL20032498

SCHEMBL20032498

CCCC(CC)c1ccc(Cl)cc1-c1cccc(OC(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
P2RX3 P56373 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
FFAR4 Q5NUL3 3/20 0.35
PTGS2 P35354 2/20 0.34
MAPT P10636 1/20 0.34
FFAR1 O14842 1/20 0.34
PTPN5 P54829 1/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL18713735 0.93 CNR1 (0.48) CNR1RXRARXRBP2RX3GABRA1
SCHEMBL20032484 0.88 MAOB (0.44) CNR1MAPTFFAR1FNTAFNTB
SCHEMBL20032144 0.88 FNTA (0.41) RXRARXRBPTGS2MAPTFFAR1
SCHEMBL21366933 0.81 SLC6A4 (0.34) FFAR4PTGS2FFAR1
SCHEMBL20032145 0.81 CSNK2A1 (0.40) P2RX3
SCHEMBL20032433 0.81 PTGDR2 (0.38) FFAR4FFAR1
SCHEMBL20032368 0.80 ALDH1A1 (0.38) CNR1MAPT
SCHEMBL20032373 0.80 KCNH2 (0.38) CNR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL18713737 0.80 FNTA (0.43) RXRARXRBPTGS2MAPTFNTA
SCHEMBL18713726 0.80 MAOB (0.47) CNR1MAPTFNTAFNTBMAOB

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-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 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-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CNR1 373/4885RXRA 2879/4885RXRB 3349/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CNR1 373/4885RXRA 2879/4885RXRB 3349/4885

“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.