SCHEMBL4635606

SCHEMBL4635606

O=C1CN(Cc2ccccc2)CCC1Cc1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.52
ACHE P22303 2/20 0.52
BACE1 P56817 2/20 0.52
SIGMAR1 Q99720 4/20 0.51
CCR3 P51677 1/20 0.49
SLC6A12 P48065 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
MCHR1 Q99705 1/20 0.48
TACR1 P25103 1/20 0.48
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL5974931 0.92 CCR3 (0.57) ACHESIGMAR1CCR3DRD2HTR2A
SCHEMBL5975118 0.92 CCR3 (0.57) ACHESIGMAR1CCR3DRD2HTR2A
SCHEMBL5974936 0.92 CCR3 (0.57) ACHESIGMAR1CCR3DRD2HTR2A
Hydrochloric Acid SCHEMBL6660125 0.90 CCR3 (0.55) ACHESIGMAR1CCR3DRD2HTR2A
SCHEMBL5974372 0.87 LMNA (0.55) BCHEACHEBACE1SIGMAR1CCR3
SCHEMBL5974378 0.87 LMNA (0.55) BCHEACHEBACE1SIGMAR1CCR3
SCHEMBL3262678 0.82 ATM (0.54) BCHEACHEBACE1SIGMAR1CCR3
SCHEMBL3262675 0.82 ATM (0.54) BCHEACHEBACE1SIGMAR1CCR3
SCHEMBL31288163 0.79 ACHE (0.53) ACHESIGMAR1CCR3DRD2HTR2A
SCHEMBL27596453 0.79 ACHE (0.49) ACHESIGMAR1CCR3DRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928829-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2008-06-11 EP disclosed
US-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-27 US disclosed
WO-2006066948-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-29 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-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents CCR1, CCR2, CCR3 BCHE 2843/4885ACHE 2240/4885BACE1 4238/4885

“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.