SCHEMBL2456449

SCHEMBL2456449

Oc1cc2c(cc1O)C(CCc1cccc3ccccc13)NCC2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.55
SLC6A3 Q01959 1/20 0.52
ADRB1 P08588 2/20 0.51
ADRB3 P13945 1/20 0.51
KDM1A O60341 5/20 0.51
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
MEN1 O00255 1/20 0.49
ABL1 P00519 1/20 0.49
ALPL P05186 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
RIN1 Q13671 1/20 0.49
TBXA2R P21731 3/20 0.48

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
Bromide SCHEMBL29999687 0.99 ADRB2 (0.54) ADRB2SLC6A3ADRB1ADRB3KDM1A
SCHEMBL5898981 0.88 ADRB2 (0.64) ADRB2ADRB1ADRB3KDM1ADRD2
SCHEMBL29440266 0.88 ADRB2 (0.64) ADRB2ADRB1ADRB3KDM1ADRD2
SCHEMBL5898915 0.88 ADRB2 (0.64) ADRB2ADRB1ADRB3KDM1ADRD2
SCHEMBL5898906 0.88 ADRB2 (0.64) ADRB2ADRB1ADRB3KDM1ADRD2
Bromide SCHEMBL26186975 0.87 ADRB2 (0.63) ADRB2ADRB1ADRB3KDM1ADRD2
Bromide SCHEMBL5898965 0.87 ADRB2 (0.63) ADRB2ADRB1ADRB3KDM1ADRD2
Bromide SCHEMBL4249633 0.87 ADRB2 (0.63) ADRB2ADRB1ADRB3KDM1ADRD2
Bromide SCHEMBL30596426 0.86 ADRB2 (0.62) ADRB2ADRB1ADRB3KDM1ADRD2
SCHEMBL6181835 0.83 KMT2A (0.53) SLC6A3MEN1KMT2A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250017979-A1 METHODS AND COMPOSITIONS FOR IMPROVING IN VIVO SURVIVAL OF MIDBRAIN DOPAMINE NEURONS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2025-01-16 US disclosed
WO-2023177919-A1 METHODS AND COMPOSITIONS FOR IMPROVING IN VIVO SURVIVAL OF MIDBRAIN DOPAMINE NEURONS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2023-09-21 WO disclosed
US-20220387561-A1 TREATMENT OF SEVERE ACUTE RESPIRATORY SYNDROME-RELATED CORONAVIRUS INFECTION WITH KLOTHO COSTA RICAN SOCIAL SECURITY FUND / CAJA COSTARRICENSE DE SEGURO SOCIAL CCSS (CR) 2022-12-08 US disclosed
US-20220008519-A1 TREATMENT OF SEVERE ACUTE RESPIRATORY SYNDROME-RELATED CORONAVIRUS INFECTION WITH KLOTHO Costa Rican Social Security Fund / Caja Costarricense de Seguro Social (CCSS) (CR) 2022-01-13 US disclosed
WO-2022008971-A2 TREATMENT OF SEVERE ACUTE RESPIRATORY SYNDROME-RELATED CORONAVIRUS INFECTION WITH KLOTHO Costa Rican Social Security Fund / Caja Costarricense de Seguro Social (CCSS) (CR) 2022-01-13 WO disclosed
US-20210093612-A1 SYSTEMS AND METHODS TO TREAT PAIN LOCALLY WARSAW ORTHOPEDIC INC (US) 2021-04-01 US disclosed
EP-2077821-B1 COMPOSITIONS AND METHODS FOR MODULATING IMMUNE RESPONSES UNIV QUEENSLAND (AU) 2019-08-14 EP disclosed
US-20190125826-A1 METHODS AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INFLAMMATORY SKIN DISEASES ASSOCIATED WITH DESMOGLEIN-1 DEFICIENCY INSERM INSTITUT NAT DE LA SANTE ET DE LA MEDICALE (FR) 2019-05-02 US disclosed
US-20190083464-A1 SYSTEMS AND METHODS TO TREAT PAIN LOCALLY WARSAW ORTHOPEDIC, INC. 2019-03-21 US disclosed
US-20190076403-A1 SYSTEMS AND METHODS TO TREAT PAIN LOCALLY WARSAW ORTHOPEDIC, INC. 2019-03-14 US disclosed
US-20110268722-A1 COMBINATION THERAPIES WITH MITOCHONDRIAL-TARGETED ANTI-TUMOR AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-11-03 US disclosed
EP-2363122-A1 Clonidine to treat pain locally Medtronic, Inc. (US) 2011-09-07 EP disclosed
US-20100159015-A1 Systems and Methods to Treat Pain Locally WARSAW ORTHOPEDIC, INC. (US) 2010-06-24 US disclosed
EP-2043625-A1 NFKAPPAB INHIBITORS TO TREAT PAIN LOCALLY Medtronic, Inc. (US) 2009-04-08 EP disclosed
EP-1781267-A4 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX INC (US) 2009-03-11 EP disclosed
WO-2008014066-A1 NFKAPPAB INHIBITORS TO TREAT PAIN LOCALLY MEDTRONIC, INC. (US) 2008-01-31 WO disclosed
EP-1781267-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS Combinatorx, Incorporated (US) 2007-05-09 EP disclosed
US-20060253100-A1 Systems and Methods to Treat Pain Locally MEDTRONIC, INC. (US) 2006-11-09 US disclosed
US-20050271661-A1 Methods and reagents for the treatment of immunoinflammatory disorders COMBINATORX, INCORPORATED (US) 2005-12-08 US disclosed
WO-2005115455-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2005-12-08 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 (2 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-20110268722-A1 COMBINATION THERAPIES WITH MITOCHONDRIAL-TARGETED ANTI-TUMOR AGENTS TFAM, AIFM1, MAVS ADRB2 2961/4885SLC6A3 4325/4885ADRB1 2167/4885
US-20250017979-A1 METHODS AND COMPOSITIONS FOR IMPROVING IN VIVO SURVIVAL OF MIDBRAIN DOPAMINE NEURONS CHAT, PINK1, DBH ADRB2 3405/4885SLC6A3 23/4885ADRB1 3104/4885

“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.