SCHEMBL5348258

SCHEMBL5348258

COC(c1ccccc1)C1CNCCO1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.71
SLC6A4 P31645 15/20 0.71
SLC6A3 Q01959 11/20 0.71
KCNH2 Q12809 2/20 0.63
MLNR O43193 1/20 0.63
ADRB2 P07550 1/20 0.63
CHRM2 P08172 1/20 0.63
CHRM1 P11229 1/20 0.63
CHRM3 P20309 1/20 0.63
HTR2C P28335 1/20 0.63
OPRK1 P41145 1/20 0.63
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
MAPK1 P28482 1/20 0.63
KMT2A Q03164 1/20 0.63
HRH1 P35367 2/20 0.61

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
SCHEMBL9049499 1.00 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3KCNH2MLNR
SCHEMBL8925289 1.00 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3KCNH2MLNR
SCHEMBL8926785 1.00 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3KCNH2MLNR
SCHEMBL9051114 1.00 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3KCNH2MLNR
SCHEMBL5307937 0.84 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2MLNR
SCHEMBL5304265 0.84 SLC6A2 (0.73) SLC6A2SLC6A4SLC6A3KCNH2MLNR
SCHEMBL30510969 0.84 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2MLNR
SCHEMBL3177611 0.84 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3KCNH2MLNR
SCHEMBL3177621 0.84 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3KCNH2MLNR
SCHEMBL3177626 0.84 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3KCNH2MLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299057-A9 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY KO SOO S 2007-12-27 US disclosed
US-7312222-B2 Heterocyclic piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-25 US disclosed
US-20040186097-A1 Heterocyclic piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-09-23 US disclosed
US-6759411-B2 ANTIHISTAMINES, ANTIALLERGENS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-07-06 US disclosed
US-20020119980-A1 Heterocyclic piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-29 US disclosed
US-6331545-B1 TREATING ASTHMA, ALLERGIC RHINITIS, ATOPIC DERMATITIS, AND INFLAMMATORY BOWEL DISEASES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-12-18 US disclosed
EP-1140834-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000035877-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 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 (3 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-20040186097-A1 Heterocyclic piperidines as modulators of chemokine receptor activity CCR3, CCR1, CCR4 SLC6A2 4437/4885SLC6A4 3395/4885SLC6A3 3107/4885
US-20020119980-A1 Heterocyclic piperidines as modulators of chemokine receptor activity CCR3, CCR1, CCR4 SLC6A2 4437/4885SLC6A4 3395/4885SLC6A3 3107/4885
US-20070299057-A9 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR3, CCR1, CCR4 SLC6A2 4325/4885SLC6A4 3301/4885SLC6A3 2846/4885

“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.