SCHEMBL20032368

SCHEMBL20032368

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
DHFR P00374 1/20 0.33
MAOA P21397 1/20 0.33
MAP4K4 O95819 1/20 0.33
CAMK2D Q13557 1/20 0.33
CYP3A4 P08684 2/20 0.33
TP53 P04637 1/20 0.33
USP7 Q93009 1/20 0.32
KIT P10721 1/20 0.32
MAPT P10636 1/20 0.32
BRD4 O60885 1/20 0.32
ESR1 P03372 1/20 0.32
ESRRG P62508 1/20 0.32
ESR2 Q92731 1/20 0.32
CYP1A2 P05177 1/20 0.32
TDO2 P48775 1/20 0.31

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
SCHEMBL18713631 0.92 ALDH1A1 (0.42) ALDH1A1CNR1CNR2DHFRMAOA
SCHEMBL20032433 0.85 PTGDR2 (0.38)
SCHEMBL20032373 0.84 KCNH2 (0.38) ALDH1A1CNR1MAPT
SCHEMBL20032144 0.82 FNTA (0.41) CYP3A4TP53MAPTBRD4
SCHEMBL20032364 0.82 MRGPRX4 (0.36)
SCHEMBL20032496 0.82 KIF11 (0.35) CNR1
SCHEMBL20032484 0.82 MAOB (0.44) CNR1CNR2TP53MAPT
SCHEMBL20032477 0.80 BRD4 (0.41) CYP3A4BRD4CYP1A2
SCHEMBL20032498 0.80 CNR1 (0.45) CNR1MAPT
SCHEMBL21164536 0.80 DHFR (0.39) ALDH1A1DHFRUSP7ESR2CYP1A2

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 ALDH1A1 433/4885CNR1 373/4885CNR2 523/4885

“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.