SCHEMBL773269

SCHEMBL773269

NCC(O)COc1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 5/20 1.00
CYP1A2 P05177 5/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
CYP2C19 P33261 2/20 0.73
KDM4E B2RXH2 1/20 0.73
ADRB2 P07550 4/20 0.62
ADRB1 P08588 4/20 0.62
SIGMAR1 Q99720 4/20 0.62
CYP2D6 P10635 4/20 0.62
SLC6A4 P31645 3/20 0.62
HTR2B P41595 3/20 0.62
ALDH1A1 P00352 3/20 0.62
ADRB3 P13945 3/20 0.62
HTR2A P28223 3/20 0.62
HTR2C P28335 3/20 0.62
HTR6 P50406 3/20 0.62
HTR1B P28222 3/20 0.62
SCN1A P35498 2/20 0.62
SLC10A1 Q14973 2/20 0.62

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
SCHEMBL9777869 1.00 NR2E1 (1.00) NR2E1CYP1A2MEN1KMT2ACYP2C19
SCHEMBL9777763 1.00 NR2E1 (1.00) NR2E1CYP1A2MEN1KMT2ACYP2C19
Hydrochloric Acid SCHEMBL31396673 0.98 NR2E1 (0.97) NR2E1CYP1A2MEN1KMT2ACYP2C19
Hydrochloric Acid SCHEMBL2460269 0.98 NR2E1 (0.97) NR2E1CYP1A2MEN1KMT2ACYP2C19
SCHEMBL1394219 0.90 CYP1A2 (0.83) NR2E1CYP1A2MEN1KMT2ACYP2C19
SCHEMBL29437208 0.90 CYP1A2 (0.83) NR2E1CYP1A2MEN1KMT2ACYP2C19
SCHEMBL29437209 0.85 CYP1A2 (1.00) NR2E1CYP1A2MEN1KMT2ACYP2C19
SCHEMBL6483890 0.85 CYP1A2 (1.00) NR2E1CYP1A2MEN1KMT2ACYP2C19
SCHEMBL6483883 0.85 CYP1A2 (1.00) NR2E1CYP1A2MEN1KMT2ACYP2C19
SCHEMBL8566653 0.85 CYP1A2 (1.00) NR2E1CYP1A2MEN1KMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369209-A1 R-Diastereomer of N6-[(2-hydroxypropyl)aryl]adenosines G.D. Searle & Co. (US) 1990-05-23 EP claimed
JP-2164896-A None JP disclosed
EP-2514739-B1 Substituted beta-phenyl-alpha-hydroxy propanoic acid, synthesis method and use thereof UNIV NORTHWEST (CN) 2016-12-21 EP disclosed
EP-2514739-B1 Substituted beta-phenyl-alpha-hydroxy propanoic acid, synthesis method and use thereof UNIV NORTHWEST (CN) 2016-12-21 EP disclosed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
JP-H02164896-A R-DIASTEREOMER OF ADENOSINE DERIVATIVE G D SEARLE & CO 1990-06-25 JP disclosed
EP-0369209-A1 R-Diastereomer of N6-[(2-hydroxypropyl)aryl]adenosines G.D. Searle & Co. (US) 1990-05-23 EP disclosed
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP disclosed
US-4472301-A REAGENT FOR IMMUNOASSAY MILES LABORATORIES, INC. (US) 1984-09-18 US disclosed
EP-0095639-A3 PROPRANOLOL IMMUNOGENS, ANTIBODIES THERETO, TEST DEVICE AND COMPOUNDS FOR PROPRANOLOL IMMUNO ASSAY MILES LABORATORIES, INC. (US) 1984-08-08 EP disclosed
EP-0095639-A2 Propranolol immunogens, antibodies thereto, test device and compounds for propranolol immuno assay MILES LABORATORIES, INC. (US) 1983-12-07 EP disclosed
EP-0095639-A2 Propranolol immunogens, antibodies thereto, test device and compounds for propranolol immuno assay MILES LABORATORIES, INC. (US) 1983-12-07 EP disclosed
US-4388308-A N6 -[(2-Hydroxypropyl)aryl]adenosines G.D. SEARLE & CO. (US) 1983-06-14 US disclosed
US-4360464-A Process for production of 1-aryloxy-aminopropane derivatives TEIKOKU HORMONE MFG. CO. LTD. (JP) 1982-11-23 US disclosed
US-4018824-A ANTIULCER AND ADRENERGIC BLOCKING AGENTS TEIKOKU HORMONE MFG. CO., LTD. (JA) 1977-04-19 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-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP NR2E1 1975/4885CYP1A2 1089/4885MEN1 1427/4885

“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.