SCHEMBL2338990

SCHEMBL2338990

Nc1ccccc1CN1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 7/20 0.64
ALDH1A1 P00352 3/20 0.55
CYP2C9 P11712 2/20 0.55
KMT2A Q03164 2/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 1/20 0.55
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CXCR4 P61073 1/20 0.49
NCF1 P14598 1/20 0.47
HTT P42858 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ADORA2A P29274 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
Hydrochloric Acid SCHEMBL9423982 0.98 CYP2A13 (0.62) CYP2A13ALDH1A1CYP2C9KMT2AALOX15
SCHEMBL14407776 0.86 MPO (0.57) CYP2A13ALDH1A1KMT2ACYP2D6KDM4E
SCHEMBL11193326 0.86 CYP2A13 (0.75) CYP2A13ALDH1A1CYP2C9KMT2AALOX15
SCHEMBL6055273 0.86 CYP2A13 (0.57) CYP2A13ALDH1A1CYP2C9KMT2AALOX15
SCHEMBL31172442 0.86 CYP2A13 (0.57) CYP2A13ALDH1A1CYP2C9KMT2AALOX15
SCHEMBL3722909 0.83 CYP2A13 (0.61) CYP2A13ALDH1A1CYP2C9KMT2AALOX15
SCHEMBL249086 0.83 CYP2A13 (0.61) CYP2A13ALDH1A1CYP2C9KMT2AALOX15
SCHEMBL1641681 0.82 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL3718831 0.82 SIGMAR1 (0.60) CYP2A13KMT2AMEN1HRH3
SCHEMBL111727 0.81 CYP2A13 (0.64) CYP2A13ALDH1A1CYP2C9KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 EP disclosed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 WO disclosed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 WO disclosed
EP-4041231-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics AG (CH) 2022-08-17 EP disclosed
EP-2956138-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA PHARMACEUTICALS INC (US) 2022-06-22 EP disclosed
US-20210393641-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF OXFORD FINANCE LLC 2021-12-23 US disclosed
WO-2021112933-A1 COMPOSITIONS FOR THE FILLING OF HIGH ASPECT RATIO VERTICAL INTERCONNECT ACCESS (VIA) HOLES HERAEUS PRECIOUS METALS NORTH AMERICA CONSHOHOCKEN LLC (US) 2021-06-10 WO disclosed
WO-2021069705-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS (CH) 2021-04-15 WO disclosed
US-10966987-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2021-04-06 US disclosed
US-10875863-B2 RIPK2 inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2020-12-29 US disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
CN-1037346-C Therapeutic agents BOOTS CO LTD (GB) 1998-02-11 CN disclosed
US-5556969-A Benzodiazepine derivatives MERCK SHARP & DOHME LTD. (GB) 1996-09-17 US disclosed
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed
US-5373008-A Phenylamidine and phenylguanidine derivatives and their use as anti-diabetic agents THE BOOTS COMPANT PLC. (GB) 1994-12-13 US disclosed
US-5223498-A Hypoglycemic agents THE BOOTS COMPANY PLC (GB) 1993-06-29 US disclosed
EP-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 EP disclosed
EP-0385038-A1 Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them The Boots Company PLC (GB) 1990-09-05 EP 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 (3 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-10966987-B2 Therapeutic compounds and uses thereof MUC1, CFTR, SLC26A4 CYP2A13 1132/4885ALDH1A1 223/4885CYP2C9 336/4885
US-10875863-B2 RIPK2 inhibitors and method of treating cancer with same RIPK2, RIPK1, RIPK4 CYP2A13 4870/4885ALDH1A1 4540/4885CYP2C9 4531/4885
US-20210393641-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 CYP2A13 1132/4885ALDH1A1 223/4885CYP2C9 336/4885

“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.