SCHEMBL14060896

SCHEMBL14060896

c1cnc(OCC2CO2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 5/20 0.42
ALDH1A1 P00352 4/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 2/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BACE1 P56817 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 2/20 0.38
CYP1A2 P05177 1/20 0.38
PPARG P37231 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL28196747 0.77 CHRM2 (0.41) CHRM2CHRM1LTA4HPTGS2KDM4E
SCHEMBL6988370 0.74 TDP1 (0.56) TDP1TSHRALDH1A1TP53HIF1A
SCHEMBL6988371 0.74 TDP1 (0.56) TDP1TSHRALDH1A1TP53HIF1A
SCHEMBL31677377 0.74 TDP1 (0.56) TDP1TSHRALDH1A1TP53HIF1A
SCHEMBL30338856 0.74 KDM4C (0.42) LMNACHRM2CHRM1LTA4HPTGS2
SCHEMBL14060660 0.73 TDP1 (0.46) TDP1TSHRALDH1A1TP53HIF1A
SCHEMBL18919007 0.71 ALDH1A1 (0.61) TDP1TSHRALDH1A1TP53HIF1A
SCHEMBL31508228 0.71 CHRM2 (0.35) SMN1; SMN2BACE1CHRM2CHRM1LTA4H
SCHEMBL8436789 0.71 CHRNA3 (0.58) CYP1A2KDM4E
SCHEMBL7374644 0.71 CHRNA3 (0.58) CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260400-B2 I-arylpiperazinic ligands of 5-HT7 receptor and use thereof UNIVERSITA' DEGLI STUDI DI BARI “ALDO MORO” (IT) 2016-02-16 US disclosed
EP-2816037-A2 New 1-arylpiperazinic ligands of 5-HT7 receptor and use thereof Università degli Studi di Bari "Aldo Moro" (IT) 2014-12-24 EP disclosed
US-20140086834-A1 NEW I-ARYLPIPERAZINIC LIGANDS OF 5-HT7 RECEPTOR AND USE THEREOF UNIVERSITA' DEGLI STUDI DI BARI ''ALDO MORO'' (IT) 2014-03-27 US disclosed
WO-2012159662-A1 NEW 1-ARYLPIPERAZINIC LIGANDS OF 5-HT7 RECEPTOR AND USE THEREOF UNIVERSITA' DEGLI STUDI DI BARI (IT) 2012-11-29 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-20140086834-A1 NEW I-ARYLPIPERAZINIC LIGANDS OF 5-HT7 RECEPTOR AND USE THEREOF HTR7, HTR2C, HTR5A TDP1 3809/4885TSHR 205/4885ALDH1A1 1787/4885

“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.