SCHEMBL2370080

SCHEMBL2370080

Fc1ccc(CC2CCCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TRPA1 O75762 1/20 0.50
LTA4H P09960 1/20 0.46
CCR3 P51677 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL14394798 1.00 POLB (0.51) POLBRAB9ASMN1; SMN2TRPA1LTA4H
SCHEMBL652510 0.98 TRPA1 (0.51) POLBRAB9ASMN1; SMN2TRPA1LTA4H
SCHEMBL3634313 0.89 EPHX2 (0.48) TRPA1
SCHEMBL20015340 0.81 GBA1 (0.58) TRPA1
SCHEMBL13330901 0.81 GBA1 (0.58) TRPA1
SCHEMBL19993075 0.81 NR1D2 (0.49)
SCHEMBL23396257 0.79 MAOB (0.55) POLBRAB9ASMN1; SMN2TRPA1ALDH1A1
SCHEMBL16861714 0.79 MAPK1 (0.50) TRPA1
SCHEMBL14394766 0.79 GRIN2B (0.41) TRPA1
Bicarbonate SCHEMBL9362828 0.79 EPHX2 (0.52) POLBCCR3

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
WO-2011109470-A1 HETEROARYL NITRILE COMPOUNDS USEFUL AS INHIBITORS OF CATHEPSIN-S BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-09 WO disclosed
US-7550486-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7541468-B2 Process of preparing N-ureidoalkyl-piperidines BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
US-20080132523-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-06-05 US disclosed
US-7351720-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-01 US 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-20080132523-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ACKR3, CCR7, CCR2 POLB 1889/4885RAB9A 785/4885SMN1; SMN2 4441/4885

“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.