SCHEMBL7526416

SCHEMBL7526416

N#CC1c2ccccc2COc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HRH1 P35367 2/20 0.40
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
TERT O14746 1/20 0.34
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIM1 P11309 1/20 0.33
OXTR P30559 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 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
SCHEMBL11272135 0.85 HTR2B (0.36) HTR2AHTR2CHRH1MAOAMAOB
SCHEMBL8798181 0.85 TBXA2R (0.36) HTR2AHTR2CHRH1
SCHEMBL11278667 0.83 MAOB (0.42) HTR2AHTR2CHRH1MAOAMAOB
SCHEMBL7522168 0.83 MAPT (0.38) HTR2AHTR2CHRH1TERTKMT2A
SCHEMBL7526493 0.83 DRD2 (0.39) MAOB
SCHEMBL7520603 0.83 DRD2 (0.39) HTR2AHTR2CHRH1
SCHEMBL8797797 0.81 IMPDH2 (0.36) HTR2AHTR2CHRH1TERTKMT2A
SCHEMBL7525559 0.81 CYP3A4 (0.36) MAOAMAOBKMT2ANPC1LMNA
SCHEMBL8797546 0.80 HTR7 (0.36) HTR2AHTR2CHRH1KMT2ANPC1
SCHEMBL11271280 0.80 MAPT (0.47) HTR2AHTR2CKMT2ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020151553-A1 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-17 US disclosed
US-6433165-B1 ANTIINFLAMMATORY AGENTS MILLENNIUM PHARMACEUTICALS, INC. 2002-08-13 US disclosed
US-6323206-B1 ANTIINFLAMMATORY AGENTS AND VIRICIDES FOR AIDS WITH CYTOKINESAND CHEMOKINES MILLENNIUM PHARMACEUTICALS, INC. 2001-11-27 US disclosed
US-4335122-A DIURETICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1982-06-15 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-20020151553-A1 Chemokine receptor antagonists and methods of use therefor CCR1, CCR2, CCR5 HTR2A 2004/4885HTR2C 1550/4885HRH1 106/4885

“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.