SCHEMBL3089549

SCHEMBL3089549

Nc1nc2ccc(C(=O)N3CCOCC3)cc2s1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.65
TSHR P16473 1/20 0.65
HTT P42858 1/20 0.65
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
GPR183 P32249 9/20 0.59
KCNH2 Q12809 1/20 0.59
NPC1 O15118 1/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.59
ALOX15 P16050 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 1/20 0.56
PIK3CA P42336 2/20 0.55
CRBN Q96SW2 1/20 0.55
DRD2 P14416 1/20 0.54

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
SCHEMBL557523 0.88 CYP1A2 (0.67) HPGDTSHRHTTCYP1A2CYP3A4
SCHEMBL32678152 0.88 CYP1A2 (0.67) HPGDTSHRHTTCYP1A2CYP3A4
SCHEMBL32678110 0.87 CYP1A2 (0.66) HPGDTSHRHTTCYP1A2CYP3A4
SCHEMBL32678113 0.87 CYP1A2 (0.66) HPGDTSHRHTTCYP1A2CYP3A4
SCHEMBL3089547 0.85 HPGD (0.63) HPGDTSHRHTTCYP1A2CYP3A4
SCHEMBL10049918 0.85 HPGD (0.75) HPGDTSHRHTTMAPTSMN1; SMN2
SCHEMBL22242743 0.84 CYP1A2 (0.72) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL31428953 0.82 HPGD (0.63) HPGDTSHRHTTMAPTALDH1A1
SCHEMBL32678126 0.80 CRBN (0.59) HPGDTSHRHTTCYP1A2CYP3A4
SCHEMBL32678129 0.80 CRBN (0.59) HPGDTSHRHTTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
WO-2026043617-A1 COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF HEALTH CONDITIONS AND DRUG SCREENING REGLAGENE, INC. (US) 2026-02-26 WO disclosed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS HPGD 8/4885TSHR 3399/4885HTT 4181/4885

“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.