SCHEMBL8065505

SCHEMBL8065505

CCNC(=O)N1CCN(c2ccc(Cc3ccc(OC)c(-c4cccc(Cl)c4)c3F)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.42
LMNA P02545 2/20 0.41
ALK Q9UM73 2/20 0.40
TNF P01375 1/20 0.40
LITAF Q99732 1/20 0.40
EPHX2 P34913 1/20 0.40
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
WNT3A P56704 1/20 0.39
MAPK1 P28482 2/20 0.39
DRD4 P21917 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
MAP4K1 Q92918 1/20 0.38
MGLL Q99685 1/20 0.38
HTT P42858 1/20 0.38

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
Hydrochloric Acid SCHEMBL3795473 0.99 CXCR3 (0.41) CXCR3LMNAALKTNFLITAF
SCHEMBL3787804 0.89 EPHX2 (0.42) CXCR3LMNAALKTNFLITAF
SCHEMBL7904612 0.89 ALDH1A1 (0.41) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3786675 0.85 CNR2 (0.41) SMN1; SMN2
SCHEMBL3796449 0.85 CACNA1H (0.41) MAP4K1SMN1; SMN2
SCHEMBL3795599 0.85 HTR1A (0.42) ALKMAP4K1SMN1; SMN2
SCHEMBL7906698 0.84 LMNA (0.41) LMNANPC1ALDH1A1PDGFRBPDGFRA
SCHEMBL3788894 0.81 TRPV1 (0.39) SMN1; SMN2
SCHEMBL3466339 0.81 HCRTR1 (0.39) NPC1
SCHEMBL3790262 0.81 HCRTR1 (0.42) TNFLITAFCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 US disclosed
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 US disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 US disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 US disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 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-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B CXCR3 433/4885LMNA 3147/4885ALK 2174/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B CXCR3 433/4885LMNA 3147/4885ALK 2174/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B CXCR3 433/4885LMNA 3147/4885ALK 2174/4885

“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.