SCHEMBL5377302

SCHEMBL5377302

Fc1ccc2c(c1)nc(C(F)(F)C(F)(F)F)n2C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
HTT P42858 2/20 0.51
USP2 O75604 2/20 0.51
TSHR P16473 1/20 0.51
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
CCR3 P51677 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.44
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
HDAC1 Q13547 1/20 0.43
SSTR5 P35346 1/20 0.42
CPT1A P50416 1/20 0.42

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
SCHEMBL5393257 0.83 CCR3 (0.65) ALDH1A1HTTUSP2TSHRHTR3E
SCHEMBL5773446 0.83 ALDH1A1 (0.62) ALDH1A1HTTUSP2TSHRHTR3E
Hydrochloric Acid SCHEMBL5382308 0.82 CCR3 (0.64) ALDH1A1HTTUSP2TSHRHTR3E
SCHEMBL3292185 0.81 ALDH1A1 (0.60) ALDH1A1HTTUSP2TSHRHTR3E
SCHEMBL17512052 0.79 ALDH1A1 (0.55) ALDH1A1HTTUSP2TSHRHTR3E
Hydrochloric Acid SCHEMBL31587848 0.79 USP2 (0.45) ALDH1A1HTTUSP2TSHRCCR3
SCHEMBL16128201 0.79 ALDH1A1 (0.55) ALDH1A1HTTUSP2TSHRHTR3E
SCHEMBL5379016 0.78 CCR3 (0.65) ALDH1A1HTTCCR3MAPK1
SCHEMBL5383638 0.77 CCR3 (0.74) DRD2DRD3CCR3
SCHEMBL20685543 0.76 ALDH1A1 (0.61) ALDH1A1DRD2DRD4DRD3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157471-B2 Haloalkyl- and piperidine-substituted benzimidazole-derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-02 US disclosed
US-7157471-B2 Haloalkyl- and piperidine-substituted benzimidazole-derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-02 US disclosed
US-7157471-B2 Haloalkyl- and piperidine-substituted benzimidazole-derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-02 US disclosed
EP-1660476-B1 HALOALKYL- AND PIPERIDINE-SUBSTITUTED BENZIMIDAZOLE-DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2006-12-27 EP disclosed
EP-1660476-A1 HALOALKYL- AND PIPERIDINE-SUBSTITUTED BENZIMIDAZOLE-DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2006-05-31 EP disclosed
US-20050124659-A1 Haloalkyl- and piperidine-substituted benzimidazole-derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-09 US disclosed
WO-2005019203-A1 HALOALKYL- AND PIPERIDINE-SUBSTITUTED BENZIMIDAZOLE-DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-03 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-20050124659-A1 Haloalkyl- and piperidine-substituted benzimidazole-derivatives ABCB11, KCNJ11, CFTR ALDH1A1 143/4885HTT 1228/4885USP2 4608/4885

“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.