SCHEMBL6358897

SCHEMBL6358897

CCOc1ccccc1C(=O)N1CC2=CN(Cc3ccc(F)cc3F)CC2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 3/20 0.43
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
NOD2 Q9HC29 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL6358479 0.80 HCRTR1 (0.56) TDP1HTTNPSR1HCRTR1HCRTR2
SCHEMBL6363450 0.78 ALDH1A1 (0.43) TDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL6356899 0.77 ALDH1A1 (0.39) TDP1MEN1KMT2ASMN1; SMN2HTR2A
SCHEMBL17502633 0.67 NPSR1 (0.76) TDP1HTTNPSR1TSHRMEN1
SCHEMBL11715064 0.67 NPSR1 (0.81) TDP1HTTNPSR1TSHRMEN1
SCHEMBL18051872 0.66 NPSR1 (0.74) TDP1HTTNPSR1TSHRMEN1
SCHEMBL17946045 0.63 NPSR1 (0.67) TDP1HTTNPSR1HCRTR1HCRTR2
SCHEMBL11907811 0.62 HCRTR1 (0.61) HTTHCRTR1HCRTR2
SCHEMBL9857776 0.62 NPSR1 (0.71) TDP1HTTNPSR1HCRTR1HCRTR2
SCHEMBL1520673 0.62 NPSR1 (1.00) TDP1HTTNPSR1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234090-A1 Modulators of chemokine receptor activity PFIZER INC 2005-10-20 US disclosed
US-6821964-B2 FOR PROPHYLAXIS AND THERAPY OF DISEASES ASSOCIATED WITH MONOCYTE ACCUMULATION, LYMPHOCYTE ACCUMULATION OR LEUCOCYTE ACCUMULATION PFIZER INC 2004-11-23 US disclosed
EP-1368354-A1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Pfizer Products Inc. (US) 2003-12-10 EP disclosed
US-20030008893-A1 Modulators of chemokine receptor activity COLON-CRUZ ROBERTO (US) 2003-01-09 US disclosed
WO-2002070523-A1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY PFIZER PRODUCTS INC. (US) 2002-09-12 WO 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 (2 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-20030008893-A1 Modulators of chemokine receptor activity CCR1, CCR3, CCR2 TDP1 3700/4885HTT 4481/4885NPSR1 282/4885
US-20050234090-A1 Modulators of chemokine receptor activity CCR3, CCR2, CCR1 TDP1 3782/4885HTT 4503/4885NPSR1 291/4885

“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.