SCHEMBL15330249

SCHEMBL15330249

CCN(CC)CCNC(=O)c1cccc(B(O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
LMNA P02545 2/20 0.55
SLC22A2 O15244 1/20 0.55
SLC22A1 O15245 1/20 0.55
TSHR P16473 1/20 0.55
ACHE P22303 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
BLM P54132 2/20 0.53
PMP22 Q01453 1/20 0.53
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
NFKB1 P19838 1/20 0.51
KCNH2 Q12809 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
CYP3A4 P08684 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
SCHEMBL875451 0.86 ALDH1A1 (0.53) ALDH1A1LMNAMAPK1KMT2AMEN1
SCHEMBL1233804 0.84 L3MBTL1 (0.65) ALDH1A1LMNAMAPK1KMT2AMEN1
SCHEMBL6350121 0.83 LMNA (0.68) ALDH1A1LMNASLC22A2SLC22A1TSHR
SCHEMBL177577 0.82 SMN1; SMN2 (0.74) ALDH1A1LMNATSHRSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL1367735 0.82 LMNA (0.69) ALDH1A1LMNASLC22A2SLC22A1TSHR
SCHEMBL19354778 0.82 NPC1 (0.59) ALDH1A1LMNASLC22A2SLC22A1TSHR
SCHEMBL2454819 0.81 HPGD (0.53) ALDH1A1TMEM97SIGMAR1KMT2AMEN1
SCHEMBL3031782 0.81 SMN1; SMN2 (0.50) ALDH1A1CYP2C19KMT2AMEN1SMN1; SMN2
SCHEMBL27208048 0.81 ALDH1A1 (0.69) ALDH1A1LMNASLC22A2SLC22A1TSHR
SCHEMBL15985302 0.81 SMN1; SMN2 (0.68) ALDH1A1LMNASMN1; SMN2POLBCA2

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-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20160244437-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-25 US disclosed
EP-3049394-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES AS MODULATORS OF FACTOR XIA Bayer Pharma Aktiengesellschaft (DE) 2016-08-03 EP disclosed
WO-2015044167-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES AS MODULATORS OF FACTOR XIA BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 WO disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 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 (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-20160244437-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT ALDH1A1 1067/4885LMNA 1349/4885SLC22A2 3277/4885

“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.