SCHEMBL5238969

SCHEMBL5238969

O=C(O)N1CCN(c2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 11/20 0.59
CYP1A2 P05177 8/20 0.59
HSD17B10 Q99714 6/20 0.59
MAPK1 P28482 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
CYP2D6 P10635 3/20 0.59
HTR1A P08908 1/20 0.58
HTR7 P34969 1/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
POLB P06746 2/20 0.58
SLC6A7 Q99884 1/20 0.58
CYP3A4 P08684 5/20 0.56
TSHR P16473 2/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
ALDH1A1 P00352 6/20 0.55
HPGD P15428 2/20 0.55
CYP2C19 P33261 4/20 0.53
CYP2C9 P11712 2/20 0.53

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
SCHEMBL15538190 0.86 HTR7 (0.75) USP2CYP1A2HSD17B10MAPK1SMN1; SMN2
SCHEMBL5239356 0.84 MEN1 (0.68) USP2CYP1A2HSD17B10MAPK1SMN1; SMN2
SCHEMBL631962 0.84 ALDH1A1 (0.69) USP2CYP1A2MAPK1HTR1AHTR7
SCHEMBL13164531 0.83 USP2 (0.56) USP2CYP1A2HSD17B10MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL5492248 0.82 ALDH1A1 (0.67) USP2CYP1A2MAPK1HTR1AHTR7
SCHEMBL27818822 0.81 CHRNB4 (0.52) USP2CYP1A2MAPK1SMN1; SMN2CYP2D6
SCHEMBL1458090 0.81 HTR1A (0.73) SMN1; SMN2HTR1AHTR7MEN1KMT2A
SCHEMBL5399904 0.81 DRD2 (0.56) USP2CYP1A2MAPK1SMN1; SMN2HTR1A
SCHEMBL3119833 0.81 ADRA2C (0.59) USP2CYP1A2MAPK1SMN1; SMN2HTR1A
SCHEMBL8224772 0.81 USP2 (0.51) USP2CYP1A2HSD17B10MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 EP claimed
US-20230121721-A1 MONOACYLGLYCEROL LIPASE INHIBITORS STICHTING HET NEDERLANDS KANKER INST ANTONI VAN LEEUWENHOEK ZIEKENHUIS (NL) 2023-04-20 US disclosed
US-11530198-B2 Compositions and methods for treating infections Vyera Pharmaceuticals, LLC (US) 2022-12-20 US disclosed
EP-3875452-A1 MONOACYLGLYCEROL LIPASE INHIBITORS Stichting Het Nederlands Kanker Instituut- Antoni van Leeuwenhoek Ziekenhuis (NL) 2021-09-08 EP disclosed
US-20200407345-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS TURING PHARMACEUTICALS LLC 2020-12-31 US disclosed
US-10774073-B2 Compositions and methods for treating infections Vyera Pharmaceuticals, LLC (US) 2020-09-15 US disclosed
US-20200270233-A1 DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC 2020-08-27 US disclosed
US-20190077794-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS Vyera Pharmaceuticals, LLC (US) 2019-03-14 US 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 (6 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-20230121721-A1 MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPA USP2 979/4885CYP1A2 678/4885HSD17B10 234/4885
US-20190077794-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS DHFR, DHODH, QDPR USP2 3943/4885CYP1A2 793/4885HSD17B10 925/4885
US-20200407345-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS DHFR, DHODH, QDPR USP2 3943/4885CYP1A2 793/4885HSD17B10 925/4885
US-11530198-B2 Compositions and methods for treating infections DHFR, DHODH, QDPR USP2 3943/4885CYP1A2 793/4885HSD17B10 925/4885
US-20200270233-A1 DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO DHFR, DHODH, FPGS USP2 3027/4885CYP1A2 874/4885HSD17B10 1064/4885
US-10774073-B2 Compositions and methods for treating infections DHFR, DHODH, QDPR USP2 3943/4885CYP1A2 793/4885HSD17B10 925/4885

“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.