SCHEMBL20032364

SCHEMBL20032364

CCCC(CC)c1ccc(Cl)cc1-c1cccc(CO)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.36
CYP2C9 P11712 1/20 0.36
NR4A2 P43354 1/20 0.36
KCNH2 Q12809 1/20 0.36
PRKCI P41743 1/20 0.35
SHMT1 P34896 2/20 0.35
S1PR1 P21453 5/20 0.34
FYN P06241 2/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
MAP2K4 P45985 1/20 0.33
SHMT2 P34897 1/20 0.33
PDE4B Q07343 1/20 0.33
FFAR1 O14842 1/20 0.32

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
SCHEMBL21164471 0.92 MRGPRX4 (0.39) MRGPRX4CYP2C9NR4A2KCNH2PRKCI
SCHEMBL20032433 0.85 PTGDR2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18713542 0.83 MRGPRX4 (0.38) MRGPRX4CYP2C9NR4A2KCNH2PRKCI
SCHEMBL20032373 0.82 KCNH2 (0.38) KCNH2S1PR1
SCHEMBL20032368 0.82 ALDH1A1 (0.38)
SCHEMBL18713618 0.81 SHMT1 (0.39) SHMT1SHMT2
SCHEMBL20032496 0.80 KIF11 (0.35) KCNH2FFAR1
SCHEMBL20032144 0.80 FNTA (0.41) PDE4BFFAR1
SCHEMBL20032484 0.80 MAOB (0.44) PDE4BFFAR1
SCHEMBL18713972 0.79 PNMT (0.47) MRGPRX4SHMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A MRGPRX4 2854/4885CYP2C9 196/4885NR4A2 825/4885

“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.