SCHEMBL20032496

SCHEMBL20032496

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.35
CNR1 P21554 2/20 0.34
P2RX1 P51575 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
TPH1 P17752 1/20 0.32
CCR9 P51686 1/20 0.31
FFAR1 O14842 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
KCNH2 Q12809 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IDO1 P14902 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
SCHEMBL18713557 0.92 KIF11 (0.39) KIF11CNR1P2RX1CTSSCTSK
SCHEMBL20032433 0.83 PTGDR2 (0.38) FFAR1
SCHEMBL20032373 0.82 KCNH2 (0.38) CNR1TPH1KCNH2
SCHEMBL20032368 0.82 ALDH1A1 (0.38) CNR1
SCHEMBL20032466 0.81 RORB (0.40) P2RX1LMNAHTTSMN1; SMN2
SCHEMBL20032484 0.80 MAOB (0.44) CNR1FFAR1IDO1
SCHEMBL20032364 0.80 MRGPRX4 (0.36) FFAR1KCNH2
SCHEMBL20032144 0.80 FNTA (0.41) RXRARXRBFFAR1
SCHEMBL18713819 0.80 KIF11 (0.41) KIF11CNR1P2RX1RXRARXRB
SCHEMBL20032477 0.78 BRD4 (0.41)

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 KIF11 4683/4885CNR1 373/4885P2RX1 1160/4885

“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.