SCHEMBL2559523

SCHEMBL2559523

CC(C)N1CCC(NC(=O)c2cccc(B(O)O)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.54
ROCK2 O75116 1/20 0.51
DRD4 P21917 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
F10 P00742 1/20 0.47
TLR9 Q9NR96 2/20 0.47
TLR8 Q9NR97 2/20 0.47
TLR7 Q9NYK1 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL18579817 0.86 KMT2A (0.50) ROCK2ALDH1A1MEN1KMT2ANPC1
SCHEMBL20147585 0.85 KMT2A (0.61) HRH3ALDH1A1MEN1KMT2A
SCHEMBL148956 0.84 NPC1 (0.56) MEN1KMT2ANPC1RAB9A
SCHEMBL18389994 0.82 HRH3 (0.67) HRH3DRD4ALDH1A1MEN1KMT2A
SCHEMBL3040194 0.82 L3MBTL1 (0.64) ALDH1A1NPC1RAB9A
SCHEMBL19464802 0.81 DRD4 (0.60) HRH3ROCK2DRD4ALDH1A1MEN1
SCHEMBL15535810 0.80 RAB9A (0.65) ALDH1A1KMT2ANPC1RAB9A
SCHEMBL20466396 0.80 ACKR3 (0.55) HRH3ROCK2DRD4ALDH1A1ADORA2A
SCHEMBL29953351 0.79 NPC1 (0.51) MEN1KMT2ANPC1RAB9A
SCHEMBL25719590 0.79 HRH3 (0.52) HRH3ROCK2DRD4ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
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
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 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-20160244437-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT HRH3 1264/4885ROCK2 3466/4885DRD4 830/4885

“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.