SCHEMBL5943690

SCHEMBL5943690

O=C(O)Nc1ccc(CCN2CCC(O)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 2/20 0.55
▸ HTR1A P08908 3/20 0.52
▸ DRD2 P14416 3/20 0.52
▸ LMNA P02545 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.49
▸ CXCR3 P49682 1/20 0.48
▸ HTR2A P28223 2/20 0.48
▸ TERT O14746 2/20 0.47
▸ HTR2C P28335 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ HTR6 P50406 1/20 0.46
▸ OPRM1 P35372 4/20 0.45
▸ OPRD1 P41143 3/20 0.45
▸ OPRK1 P41145 3/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ ADRA1B P35368 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ SPHK2 Q9NRA0 1/20 0.45

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
SCHEMBL14100186 0.82 SPHK1 (0.53) SPHK1HTR1ADRD2LMNACXCR3
SCHEMBL23805122 0.81 SIGMAR1 (0.61) HTR1ADRD2SIGMAR1CXCR3HTR2A
SCHEMBL17664547 0.81 SPHK1 (0.62) SPHK1LMNASIGMAR1HTR2AHTR2C
SCHEMBL5175918 0.80 RAB9A (0.54) SPHK1HTR1ADRD2SIGMAR1CXCR3
SCHEMBL5943713 0.80 KCNA5 (0.55) —
SCHEMBL15922472 0.79 SPHK1 (0.68) SPHK1HTR1AOPRM1
SCHEMBL4255190 0.78 ACHE (0.69) SPHK1SIGMAR1HTR2AHTR2COPRM1
SCHEMBL17660231 0.77 SPHK1 (0.58) SPHK1LMNAHTR2AHTR2CHTR7
SCHEMBL14100275 0.77 SPHK1 (0.65) SPHK1HTR2AHTR2CHTR7HTR6
SCHEMBL2761932 0.77 SPHK1 (0.57) SPHK1SIGMAR1HTR2AHTR2CHTR7

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-20060223792-A1 Phenyl and pyridyl LTA4H modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 — — 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-20060223792-A1 Phenyl and pyridyl LTA4H modulators LTA4H, LTB4R, LTC4S SPHK1 604/4885HTR1A 718/4885DRD2 4672/4885

“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.

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