SCHEMBL2902591

SCHEMBL2902591

O=C1CN(Cc2ccccc2)CCO1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.52
FAAH O00519 1/20 0.49
CYP2D6 P10635 1/20 0.46
MC4R P32245 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
DRD4 P21917 2/20 0.44
GAA P10253 1/20 0.44
COMT P21964 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL17094573 0.82 SIGMAR1 (0.61) SIGMAR1FAAHCYP2D6MC4RDRD4
SCHEMBL9730657 0.82 CYP1A2 (0.57) SIGMAR1CYP2D6MC4RDRD4GAA
SCHEMBL8292570 0.79 SIGMAR1 (0.52) SIGMAR1FAAHCYP2D6MC4RDRD4
SCHEMBL2734368 0.78 SIGMAR1 (0.54) SIGMAR1MC4RDRD4GAALMNA
SCHEMBL31041017 0.77 SIGMAR1 (0.48) SIGMAR1SLC6A5DRD4GAAPOLB
SCHEMBL6436620 0.77 CYP2D6 (0.51) SIGMAR1CYP2D6MC4RDRD4CYP1A2
SCHEMBL8283409 0.76 SIGMAR1 (0.47) SIGMAR1FAAHCYP2D6MC4RDRD4
SCHEMBL6200777 0.74 SIGMAR1 (0.71) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL102338 0.74 SIGMAR1 (0.71) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL266771 0.73 SLC6A5 (0.59) SIGMAR1MC4RSLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP claimed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US claimed
EP-3027601-A1 SYK INHIBITORS Gilead Sciences, Inc. (US) 2016-06-08 EP claimed
WO-2015017610-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2015-02-05 WO claimed
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 US claimed
CN-102898396-B Method for preparing 3-(4-fluorophenyl)-4-benzyl-2-molindone ALPHA PHARMACEUTICAL CO LTD JIANGSU PROVINCE 2014-12-10 CN claimed
CN-102898396-A Method for preparing 3-(4-fluorophenyl)-4-benzyl-2-molindone ALPHA PHARMACEUTICAL CO LTD JIANGSU PROVINCE 2013-01-30 CN claimed
US-20220024925-A1 Deuterium-Substituted 7-Substituted-2-(Benzylamino)-6-Ozopurine Compounds and Uses Thereof ACURX PHARMACEUTICALS, LLC 2022-01-27 US disclosed
US-10556873-B2 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2020-02-11 US disclosed
US-10556873-B2 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2020-02-11 US disclosed
US-10189803-B2 Synthesis of therapeutic and diagnostic drugs centered on regioselective and stereoselective ring opening of aziridinium ions ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2019-01-29 US disclosed
US-10189803-B2 Synthesis of therapeutic and diagnostic drugs centered on regioselective and stereoselective ring opening of aziridinium ions ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2019-01-29 US disclosed
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
WO-2005047272-A1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-05-26 WO disclosed
WO-2005020976-A2 TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO disclosed
WO-2005021095-A2 TREATMENT OF STUTTERING AND OTHER COMMUNICATION DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO disclosed
WO-2005020975-A2 TREATMENT OF LEARNING DISABILITIES AND MOTOR SKILLS DISORDER WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO disclosed
WO-2004103356-A2 TREATMENT OF EMOTIONAL DYSREGULATION ELI LILLY AND COMPANY (US) 2004-12-02 WO disclosed
WO-2004017977-A2 2- (PHENOXYMETHYL)- AND 2- (PHENYLTHIOMETHYL)-MORPHOLINE DERIVATIVES FOR USE AS SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2004-03-04 WO disclosed
WO-2004018441-A1 ARYL AND HETEROARYL MORPHOLINE DERIVATIVES ELI LILLY AND COMPANY (US) 2004-03-04 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-10556873-B2 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using UACA, CLTC, CLTA SIGMAR1 1056/4885FAAH 3530/4885CYP2D6 4062/4885
US-20150038488-A1 SYK INHIBITORS SYK, BTK, LYN SIGMAR1 1923/4885FAAH 4507/4885CYP2D6 2824/4885
US-10189803-B2 Synthesis of therapeutic and diagnostic drugs centered on regioselective and stereoselective ring opening of aziridinium ions AZI2, ABL1, DHPS SIGMAR1 3169/4885FAAH 4082/4885CYP2D6 325/4885
US-20220024925-A1 Deuterium-Substituted 7-Substituted-2-(Benzylamino)-6-Ozopurine Compounds and Uses Thereof DUT, DCTD, TPMT SIGMAR1 2729/4885FAAH 2214/4885CYP2D6 10/4885
US-20160368918-A1 SYK INHIBITORS SYK, BTK, LYN SIGMAR1 1896/4885FAAH 4570/4885CYP2D6 3089/4885
US-10005774-B2 Syk inhibitors SYK, BTK, LYN SIGMAR1 1896/4885FAAH 4570/4885CYP2D6 3089/4885

“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.