SCHEMBL3090159

SCHEMBL3090159

NC(=O)c1ccccc1C(=O)N1CCN(C(=O)O)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
TSHR P16473 3/20 0.59
USP2 O75604 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 2/20 0.49
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
TP53BP1 Q12888 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
CPB1 P15086 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
SCHEMBL20567427 0.93 ALDH1A1 (0.61) ALDH1A1TSHRUSP2MEN1KMT2A
SCHEMBL6474889 0.85 TSHR (0.59) ALDH1A1TSHRUSP2MEN1KMT2A
SCHEMBL1583125 0.84 SMN1; SMN2 (0.59) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL5166136 0.84 SMN1; SMN2 (0.59) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL5349455 0.81 SMN1; SMN2 (0.67) ALDH1A1TSHRUSP2MEN1KMT2A
Hydrochloric Acid SCHEMBL17559454 0.79 SMN1; SMN2 (0.65) ALDH1A1TSHRUSP2MEN1KMT2A
SCHEMBL16026538 0.79 ALDH1A1 (0.79) ALDH1A1TSHRUSP2MEN1KMT2A
SCHEMBL27748956 0.79 HTT (0.73) ALDH1A1TSHRUSP2MEN1KMT2A
SCHEMBL3088384 0.79 HTT (0.77) ALDH1A1TSHRUSP2MEN1KMT2A
SCHEMBL12894694 0.78 ALDH1A1 (0.54) ALDH1A1TSHRUSP2MEN1KMT2A

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
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 ALDH1A1 614/4885TSHR 3399/4885USP2 3860/4885

“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.