SCHEMBL5759617

SCHEMBL5759617

COc1cc(C(=N)N)ccc1OCc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.70
F2 P00734 3/20 0.70
F10 P00742 3/20 0.70
F7 P08709 3/20 0.70
MRGPRX1 Q96LB2 2/20 0.70
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
HPGD P15428 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
PRSS2 P07478 1/20 0.62
F3 P13726 1/20 0.62
PRSS3 P35030 1/20 0.62
SMPD1 P17405 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
RXRA P19793 1/20 0.57
KLK1 P06870 1/20 0.57

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
SCHEMBL10921622 0.87 PRSS1 (0.65) PRSS1F2F10F7MRGPRX1
SCHEMBL6940634 0.86 NPC1 (0.65) PRSS1F2F10F7MRGPRX1
SCHEMBL4278415 0.86 NPC1 (0.73) NPC1RAB9AHPGDSMN1; SMN2SMPD1
SCHEMBL23566116 0.84 PRSS1 (0.65) PRSS1F2F10F7MRGPRX1
SCHEMBL22291110 0.84 F10 (0.55) PRSS1F2F10F7MRGPRX1
Hydrochloric Acid SCHEMBL23235770 0.83 PRSS1 (0.66) PRSS1F2F10F7MRGPRX1
SCHEMBL10927143 0.83 KLK1 (0.61) PRSS1F2F10F7MRGPRX1
SCHEMBL242563 0.82 MRGPRX4 (0.77) NPC1RAB9AHPGDSMN1; SMN2SMPD1
SCHEMBL27881765 0.82 NPC1 (0.77) NPC1RAB9AHPGDSMN1; SMN2SMPD1
SCHEMBL10927771 0.81 PRSS1 (0.53) PRSS1F2F10F7MRGPRX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663234-A1 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF HIV INFECTIONS Pfizer Limited (GB) 2006-06-07 EP disclosed
US-20050043300-A1 Piperazine derivatives PFIZER INC. 2005-02-24 US disclosed
WO-2005016344-A1 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF HIV INFECTIONS PFIZER LIMITED (GB) 2005-02-24 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-20050043300-A1 Piperazine derivatives CD4, CCR5, RRP15 PRSS1 360/4885F2 963/4885F10 1555/4885

“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.