SCHEMBL17848993

SCHEMBL17848993

NCCNCC(N)CC(Cc1ccc([N+](=O)[O-])cc1)CC(N)CNCCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.44
CHRM2 P08172 1/20 0.43
MC4R P32245 1/20 0.39
MMP2 P08253 3/20 0.38
IDO1 P14902 2/20 0.38
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
KCNH2 Q12809 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 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
SCHEMBL4092879 0.89 LOXL2 (0.49) LOXL2CHRM2MC4RMMP2IDO1
SCHEMBL6523856 0.89 LOXL2 (0.49) LOXL2CHRM2MC4RMMP2IDO1
SCHEMBL4104161 0.89 LOXL2 (0.49) LOXL2CHRM2MC4RMMP2IDO1
Hydrochloric Acid SCHEMBL2511527 0.88 LOXL2 (0.47) LOXL2CHRM2MC4RMMP2IDO1
Hydrochloric Acid SCHEMBL2511528 0.88 LOXL2 (0.47) LOXL2CHRM2MC4RMMP2IDO1
SCHEMBL8829958 0.88 LOXL2 (0.50) LOXL2CHRM2MC4RMMP2IDO1
SCHEMBL28541344 0.85 LOXL2 (0.47) LOXL2CHRM2MC4RMMP2IDO1
SCHEMBL12793699 0.84 CHRM2 (0.49) LOXL2CHRM2MC4RMMP2IDO1
SCHEMBL8829959 0.82 LOXL2 (0.47) LOXL2CHRM2MC4RMMP2IDO1
SCHEMBL5099679 0.80 LOXL2 (0.47) LOXL2CHRM2MC4RMMP2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220143229-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-12 US disclosed
US-11260136-B2 Radio-pharmaceutical complexes BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-03-01 US disclosed
US-20210322583-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER AS (NO) 2021-10-21 US disclosed
US-20190298865-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-03 US disclosed
EP-3468619-A1 RADIO-PHARMACEUTICAL COMPLEXES Bayer Pharma Aktiengesellschaft (DE) 2019-04-17 EP disclosed
US-20190091354-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-03-28 US disclosed
EP-3432936-A1 RADIO-PHARMACEUTICAL COMPLEXES Bayer Pharma Aktiengesellschaft (DE) 2019-01-30 EP disclosed
WO-2017211809-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-12-14 WO disclosed
US-20170340759-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER AS (NO) 2017-11-30 US disclosed
EP-3233137-A1 RADIO-PHARMACEUTICAL COMPLEXES Bayer AS (NO) 2017-10-25 EP disclosed
WO-2017162555-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 WO disclosed
WO-2016096843-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER AS (NO) 2016-06-23 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 (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-20210322583-A1 RADIO-PHARMACEUTICAL COMPLEXES PTMS, THOP1, PHPT1 LOXL2 2044/4885CHRM2 554/4885MC4R 3090/4885
US-20220143229-A1 RADIO-PHARMACEUTICAL COMPLEXES EGFR, MET, ERBB2 LOXL2 1316/4885CHRM2 863/4885MC4R 2818/4885
US-11260136-B2 Radio-pharmaceutical complexes EGFR, MET, ERBB2 LOXL2 1442/4885CHRM2 645/4885MC4R 2860/4885
US-20170340759-A1 RADIO-PHARMACEUTICAL COMPLEXES PTMS, THOP1, PHPT1 LOXL2 1992/4885CHRM2 553/4885MC4R 3064/4885
US-20190091354-A1 RADIO-PHARMACEUTICAL COMPLEXES EGFR, MET, ERBB2 LOXL2 1388/4885CHRM2 706/4885MC4R 2908/4885
US-20190298865-A1 RADIO-PHARMACEUTICAL COMPLEXES FAP, PHPT1, DNPEP LOXL2 659/4885CHRM2 3124/4885MC4R 3017/4885

“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.