SCHEMBL5846498

SCHEMBL5846498

O=C1CCCC(Cc2ccc(F)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPA1 O75762 1/20 0.39
GRIN1 Q05586 1/20 0.37
MAOB P27338 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL3982415 0.83 NOS3 (0.50)
SCHEMBL25698026 0.81 NOS3 (0.45) POLB
SCHEMBL5846563 0.79 EPHX2 (0.42) GRIN1EPHX2
Hydrochloric Acid SCHEMBL28729781 0.79 SIGMAR1 (0.48)
SCHEMBL652510 0.78 TRPA1 (0.51) POLBRAB9ASMN1; SMN2TRPA1GRIN1
SCHEMBL5755254 0.76 CTSD (0.40) POLBRAB9ASMN1; SMN2TRPA1GRIN1
SCHEMBL2370080 0.76 POLB (0.51) POLBRAB9ASMN1; SMN2TRPA1
SCHEMBL14394798 0.76 POLB (0.51) POLBRAB9ASMN1; SMN2TRPA1
SCHEMBL3634313 0.73 EPHX2 (0.48) TRPA1GRIN1EPHX2
SCHEMBL29114052 0.73 NOS3 (0.41) POLBRAB9ASMN1; SMN2EPHX2

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-7126010-B2 Benzylcycloalkyl amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-10-24 US disclosed
US-20050124671-A1 Benzylcycloalkyl amines as modulators of chemokine receptor activity WACKER DEAN A (US) 2005-06-09 US disclosed
US-6864380-B2 Benzylcycloalkyl amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-03-08 US disclosed
US-20040014758-A1 Benzylcycloalkyl amines as modulators of chemokine receptor activity WACKER DEAN A (US) 2004-01-22 US disclosed
US-6608227-B1 Prevention of inflammatory diseases such as asthma and other allergic diseases BRISTOL-MYERS SQUIBB PHARMA 2003-08-19 US disclosed
EP-1220836-A2 BENZYLCYCLOALKYL AMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2002-07-10 EP disclosed
WO-2001028987-A1 BENZYLCYCLOALKYL AMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2001-04-26 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-20040014758-A1 Benzylcycloalkyl amines as modulators of chemokine receptor activity CCR3, CCR1, CCR10 HCRTR1 267/4885HCRTR2 571/4885POLB 3376/4885
US-20050124671-A1 Benzylcycloalkyl amines as modulators of chemokine receptor activity CCR3, CCR1, CCR10 HCRTR1 322/4885HCRTR2 513/4885POLB 3296/4885

“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.