SCHEMBL104954

SCHEMBL104954

CC(C)NCc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.53
MAOB P27338 3/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 2/20 0.50
CHRM2 P08172 1/20 0.50
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
NPC1 O15118 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL7093511 0.88 MAOA (0.53) MAOAMAOBALDH1A1SMN1; SMN2CYP1A2
SCHEMBL21227150 0.85 ALDH1A1 (0.50) MAOAMAOBALDH1A1SMN1; SMN2CYP1A2
SCHEMBL12069840 0.85 ALDH1A1 (0.54) MAOAMAOBALDH1A1SMN1; SMN2CYP1A2
SCHEMBL18400043 0.84 SIGMAR1 (0.57) MAOAMAOBALDH1A1SMN1; SMN2CYP1A2
SCHEMBL172334 0.83 POLB (0.60) MAOAMAOBALDH1A1SMN1; SMN2CYP1A2
SCHEMBL9005813 0.82 ALDH1A1 (0.51) MAOAMAOBALDH1A1SMN1; SMN2CYP1A2
SCHEMBL13995681 0.82 ALDH1A1 (0.51) MAOAMAOBALDH1A1SMN1; SMN2CYP1A2
SCHEMBL13995837 0.82 ALDH1A1 (0.51) MAOAMAOBALDH1A1SMN1; SMN2CYP1A2
SCHEMBL13995298 0.82 ALDH1A1 (0.51) MAOAMAOBALDH1A1SMN1; SMN2CYP1A2
SCHEMBL12473521 0.82 KDM4E (0.54) MAOAMAOBALDH1A1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239828-A1 MANNOSE 6-PHOSPHATE OR ASGPR RECEPTOR BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2024-07-18 US disclosed
EP-4139308-B1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT ENERGIE ATOMIQUE (FR) 2024-07-17 EP disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
WO-2024145931-A1 SMALL MOLECULE INHIBITOR FOR β-CATENIN/BCL9 PROTEIN-PROTEIN INTERACTION AND USE THEREOF 上海医药工业研究院有限公司 2024-07-11 WO disclosed
WO-2024134541-A1 HETEROCYCLIC COMPOUNDS AS ENT INHIBITORS AND COMPOUNDS FOR USE IN THE TREATMENT OF CANCERS iTeos Belgium SA (BE) 2024-06-27 WO disclosed
EP-4370207-A1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS Nido Biosciences, Inc. (US) 2024-05-22 EP disclosed
WO-2024081748-A2 INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-04-18 WO disclosed
WO-2024059041-A1 BENZO-FUSED N-HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES, INC. (US) 2024-03-21 WO disclosed
US-20240072809-A1 ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2024-02-29 US disclosed
US-11912714-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-27 US disclosed
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-01-04 US disclosed
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-01-04 US disclosed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 WO disclosed
EP-1324985-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2004-10-06 EP disclosed
US-20040097559-A1 N-sulfonyl-4-methyleneamino-3-hydroxy-2-pyridones WARNER CHILCOTT COMPANY, LLC 2004-05-20 US disclosed
EP-1324985-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2003-07-09 EP disclosed
WO-2003035057-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING B.V. (NL) 2003-05-01 WO disclosed
WO-2002028831-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2002-04-11 WO disclosed
US-6306864-B1 CEREBRAL DEFICITS SUBSEQUENT TO OR RESULTING FROM CARDIAC BYPASS SURGERY AND GRAFTING, STROKE, CEREBRAL ISCHEMIA, SPINAL CORD TRAUMA, HEAD TRAUMA PFIZER INC. 2001-10-23 US disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 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 (5 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-20040097559-A1 N-sulfonyl-4-methyleneamino-3-hydroxy-2-pyridones IL17A, TLR1, CYP51A1 MAOA 1214/4885MAOB 677/4885ALDH1A1 171/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 MAOA 3839/4885MAOB 4233/4885ALDH1A1 2211/4885
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS DRD4, DRD2, SLC6A3 MAOA 406/4885MAOB 334/4885ALDH1A1 961/4885
US-11912714-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 MAOA 2508/4885MAOB 2323/4885ALDH1A1 319/4885
US-20240239828-A1 MANNOSE 6-PHOSPHATE OR ASGPR RECEPTOR BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS M6PR, ASGR1, IGF2R MAOA 3810/4885MAOB 3393/4885ALDH1A1 4019/4885

“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.