SCHEMBL4828824

SCHEMBL4828824

O=C(O)N1CCN(Cc2cccc(CO)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 5/20 0.51
FAAH O00519 7/20 0.51
KDM4E B2RXH2 3/20 0.51
HTT P42858 1/20 0.51
ATM Q13315 1/20 0.51
GAA P10253 1/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL4711940 0.88 LMNA (0.54) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL29977618 0.86 PRMT6 (0.64) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL2925701 0.84 ALDH1A1 (0.59) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL22346647 0.83 HRH3 (0.56) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL6425989 0.83 FAAH (0.49) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL2850013 0.83 ALDH1A1 (0.70) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL3948130 0.83 LMNA (0.55) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL3047497 0.83 KDM4E (0.71) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL2930424 0.83 SIGMAR1 (0.73) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL4838001 0.83 CYP2D6 (0.73) LMNASMN1; SMN2KMT2AMEN1TSHR

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-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. 2008-11-06 US disclosed
US-7407949-B2 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2008-08-05 US disclosed
US-20060166971-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2006-07-27 US disclosed
US-20050032777-A1 Diazacycloalkanes as oxytocin agonists FEERING B.V. (NL) 2005-02-10 US disclosed
EP-1449844-A1 benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2004-08-25 EP disclosed
EP-1421087-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2004-05-26 EP disclosed
WO-2003016316-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2003-02-27 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 (3 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-20050032777-A1 Diazacycloalkanes as oxytocin agonists OXTR, GNRHR, KISS1R LMNA 3756/4885SMN1; SMN2 1677/4885KMT2A 4463/4885
US-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B LMNA 3231/4885SMN1; SMN2 3618/4885KMT2A 1922/4885
US-20060166971-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B LMNA 3231/4885SMN1; SMN2 3618/4885KMT2A 1922/4885

“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.