SCHEMBL5524951

SCHEMBL5524951

O=C(NCC1CCC(OCc2ccc(Cl)cc2)CC1)c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CYP1A2 P05177 1/20 0.52
GAA P10253 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C19 P33261 1/20 0.52
GFER P55789 1/20 0.52
CXCR3 P49682 4/20 0.51
CCR2 P41597 2/20 0.45
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
P2RX3 P56373 1/20 0.45

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
SCHEMBL5524949 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP1A2GAA
SCHEMBL5532633 0.88 HDAC3 (0.51) CXCR3ALDH1A1HDAC3KDM4E
SCHEMBL5532627 0.88 HDAC3 (0.51) CXCR3ALDH1A1HDAC3KDM4E
SCHEMBL14451265 0.86 CXCR3 (0.54) CXCR3HDAC3GABRA5
SCHEMBL5518771 0.86 CXCR3 (0.54) CXCR3HDAC3GABRA5
SCHEMBL5518767 0.86 CXCR3 (0.54) CXCR3HDAC3GABRA5
SCHEMBL5516498 0.84 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP1A2GAA
SCHEMBL5516494 0.84 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP1A2GAA
SCHEMBL8985595 0.81 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9AMAPTCXCR3
SCHEMBL4492779 0.80 MAPK14 (0.57) GFERHDAC3MAPK14

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-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US claimed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
EP-1716100-A2 THERAPEUTIC AMIDE DERIVATIVES Pfizer, Inc. (US) 2006-11-02 EP disclosed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 WO disclosed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 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 (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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A SMN1; SMN2 897/4885NPC1 1340/4885RAB9A 3372/4885

“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.