SCHEMBL6702276

SCHEMBL6702276

Fc1ccc(C(CCBr)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.49
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
MITF O75030 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HRH1 P35367 4/20 0.45
HTR2A P28223 4/20 0.42
MEN1 O00255 2/20 0.42
SIGMAR1 Q99720 1/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A4 P31645 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
SCHEMBL3688208 0.94 CYP19A1 (0.44) CYP19A1KMT2AHTTMITFALDH1A1
SCHEMBL2172475 0.87 HRH1 (0.56) KMT2AHTTALDH1A1LMNAHRH1
SCHEMBL30171026 0.84 HRH1 (0.54) KMT2AHTTALDH1A1LMNAHRH1
SCHEMBL5864161 0.81 CYP19A1 (0.47) CYP19A1HTTMITFLMNAHRH1
SCHEMBL6699187 0.79 CYP19A1 (0.49) CYP19A1KMT2AHTTMITFALDH1A1
SCHEMBL7808300 0.79 CYP19A1 (0.46) CYP19A1HTTLMNASIGMAR1
SCHEMBL7279759 0.79 HRH1 (0.75) CYP19A1KMT2AHTTMITFALDH1A1
Butane SCHEMBL7388669 0.78 SIGMAR1 (0.52) KMT2AHTTALDH1A1LMNAHRH1
SCHEMBL6902789 0.78 CYP19A1 (0.45) CYP19A1HTTLMNASIGMAR1
SCHEMBL5089274 0.78 CYP19A1 (0.45) CYP19A1HTTLMNASIGMAR1

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-20040006081-A1 Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-01-08 US disclosed
CN-1441781-A Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity ASTRAZENECA AG (SE) 2003-09-10 CN disclosed
EP-1289957-A1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2003-03-12 EP disclosed
WO-2001087839-A1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2001-11-22 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 (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-20040006081-A1 Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity CCR5, CCR2, CCR1 CYP19A1 2675/4885KMT2A 4756/4885HTT 4673/4885

“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.