SCHEMBL5352790

SCHEMBL5352790

O=C(c1cc(F)cc(F)c1)N1CCC(CN2CCC(Cc3ccccc3)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.58
CYP2C19 P33261 4/20 0.58
MAPK14 Q16539 4/20 0.58
HTT P42858 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
GAA P10253 1/20 0.54
HTR2B P41595 3/20 0.52
CCR3 P51677 1/20 0.52
SIGMAR1 Q99720 1/20 0.51

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
SCHEMBL5366293 0.88 HTT (0.67) CYP2C9CYP2C19MAPK14HTTMEN1
SCHEMBL5359292 0.86 SPR (0.60) CYP2C9CYP2C19MAPK14HTTMEN1
SCHEMBL5356282 0.83 CCR3 (0.64) CYP2C9CYP2C19MAPK14HTTMEN1
SCHEMBL3455691 0.81 HTT (0.69) CYP2C9CYP2C19MAPK14HTTMEN1
SCHEMBL7232379 0.79 HTT (0.73) CYP2C9CYP2C19MAPK14HTTMEN1
SCHEMBL10719972 0.79 HTT (0.78) CYP2C9CYP2C19MAPK14HTTMEN1
SCHEMBL5353094 0.79 MCHR1 (0.59) CYP2C9CYP2C19HTTGAACCR3
SCHEMBL5353463 0.79 MEN1 (0.63) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL13108352 0.79 CYP2C9 (0.64) CYP2C9CYP2C19MAPK14HTTMEN1
SCHEMBL10723602 0.79 MGLL (0.67) CYP2C9CYP2C19MAPK14HTTMEN1

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 12 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 claimed
US-7312222-B2 Heterocyclic piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-25 US claimed
US-20040186097-A1 Heterocyclic piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-09-23 US claimed
US-20020119980-A1 Heterocyclic piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-29 US claimed
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 CYP2C9 2584/4885CYP2C19 2298/4885MAPK14 931/4885
US-20020119980-A1 Heterocyclic piperidines as modulators of chemokine receptor activity CCR3, CCR1, CCR4 CYP2C9 2584/4885CYP2C19 2298/4885MAPK14 931/4885
US-20070299057-A9 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR3, CCR1, CCR4 CYP2C9 2876/4885CYP2C19 2553/4885MAPK14 899/4885

“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.