SCHEMBL6776635

SCHEMBL6776635

O=[N+]([O-])c1cnc2c(c1)COCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 8/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 4/20 0.38
KDM4E B2RXH2 1/20 0.38
ADRB2 P07550 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
IDO1 P14902 1/20 0.37
MAPK1 P28482 1/20 0.36
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
MAOB P27338 1/20 0.33
NOS1 P29475 1/20 0.33
MEN1 O00255 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL31378902 0.88 ALDH1A1 (0.39) RXFP1HTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL5582661 0.77 CCNA2 (0.46) HTTALDH1A1MAPTIDO1MAPK1
SCHEMBL13341660 0.77 ALDH1A1 (0.43) HTTRAB9AALDH1A1MAPTIDO1
SCHEMBL6210831 0.76 ALDH1A1 (0.45) HTTALDH1A1MAPTIDO1MAPK1
SCHEMBL5457968 0.73 ALDH1A1 (0.38) HTTALDH1A1MAPTIDO1MAPK1
SCHEMBL3577632 0.73 ALDH1A1 (0.38) HTTRAB9AALDH1A1MAPTIDO1
SCHEMBL31378651 0.73 POLB (0.43) RAB9ASMN1; SMN2ALDH1A1CYP1A2HPGD
SCHEMBL13544036 0.73 ALDH1A1 (0.35) HTTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL6291697 0.72 PNMT (0.53) RAB9AALDH1A1MAPTTDP1KMT2A
SCHEMBL5131485 0.72 PNMT (0.49) RAB9AALDH1A1MAPTTDP1KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171431-A1 HETEROCYCLIC INHIBITORS OF IGF-1R FOR TREATMENT OF DISEASE HORIZON THERAPEUTICS IRELAND DAC (IE) 2025-05-29 US disclosed
WO-2025030163-A1 HETEROCYCLIC INHIBITORS OF IGF-1R FOR TREATMENT OF DISEASE HORIZON THERAPEUTICS IRELAND DAC (IE) 2025-02-06 WO disclosed
US-6777426-B2 SELECTIVE AGONISTS FOR HUMAN ALPHA 2 ADRENERGIC RECEPTORS; TREATING PAIN, MIGRAINE, HEADACHES, GLAUCOMA; 2-(INDAN-5-YL)AMINO-2-IMIDAZOLINE FOR EXAMPLE SYNAPTIC PHARMACEUTICAL CORPORATION 2004-08-17 US disclosed
US-20020019390-A1 Imidazole and imidazoline derivatives and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-02-14 US disclosed
US-6294566-B1 ENANTIOMORPHS REVERSE AND ADRENERGIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-09-25 US disclosed
US-6093727-A A SELECTIVE AGONISTS FOR HUMAN ALPHA 2 RECEPTORS FOR TREATING DISORDERS AS HYPERTENSION, PAIN, GLAUCOMA, ALCOHOL AND DRUG WITHDRAWAL, ISCHEMIA, RHEUMATOID ARTHRITIS, MIGRAINE, COGNITIVE DEFICIENCY, SPASTICITY, DIARRHEA, NASAL CONGESTION SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-25 US disclosed
US-5866579-A SELECTIVE AGONISTS FOR CLONED HUMAN ALPHA-2 ADRENERGIC RECEPTORS. SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-02-02 US disclosed
EP-0556008-B1 Condensed imidazopyridine derivatives with psychotropic activity SHIONOGI & CO (JP) 1997-05-14 EP disclosed
US-5461062-A Psychotropic agent as antianxiety agent, anesthesia antagonistic agent SHIONOGI & CO., LTD. (JP) 1995-10-24 US disclosed
US-5378848-A Benzodiazepine agonist, psychotropic, antianxiety, cerebral function activator, anesthesia atagonist SHIONOGI & CO., LTD. (JP) 1995-01-03 US disclosed
EP-0556008-A1 Condensed imidazopyridine derivatives with psychotropic activity SHIONOGI & CO., LTD. (JP) 1993-08-18 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 (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-20020019390-A1 Imidazole and imidazoline derivatives and uses thereof ADRB2, ADRA2C, ADRB3 RXFP1 492/4885HTT 2747/4885RAB9A 2112/4885
US-20250171431-A1 HETEROCYCLIC INHIBITORS OF IGF-1R FOR TREATMENT OF DISEASE IGF1R, TRHR, TSHR RXFP1 400/4885HTT 163/4885RAB9A 1173/4885

“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.