SCHEMBL6773082

SCHEMBL6773082

CON=C1CCCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 3/20 0.41
CTSL P07711 1/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
HTR2A P28223 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
EGFR P00533 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
TLR9 Q9NR96 1/20 0.38

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
SCHEMBL12609501 0.84 MAPT (0.46) MAPTCYP1A2CYP2C19L3MBTL1ALDH1A1
SCHEMBL397319 0.81 MAPT (0.48) MAPTCYP1A2CYP2C19L3MBTL1ALDH1A1
SCHEMBL397320 0.81 MAPT (0.48) MAPTCYP1A2CYP2C19L3MBTL1ALDH1A1
SCHEMBL14129177 0.76 MAPT (0.40) MAPTCYP1A2CYP2C19L3MBTL1ALDH1A1
SCHEMBL14138184 0.76 MAPT (0.40) MAPTCYP1A2CYP2C19L3MBTL1ALDH1A1
SCHEMBL15333708 0.75 MAPT (0.45) MAPTCYP1A2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6767399 0.75 MAPT (0.42) MAPTL3MBTL1ALDH1A1NPC1KDM4E
SCHEMBL15340739 0.75 MAPT (0.45) MAPTCYP1A2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL398342 0.74 PTPRC (0.50) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL5210156 0.73 PTPRC (0.44) MAPTCYP1A2CYP2C19L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0975602-A4 IMIDAZOLE AND IMIDAZOLINE DERIVATIVES AND USES THEREOF GRUENENTHAL GMBH (DE) 2003-01-22 EP 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
EP-0975602-A1 IMIDAZOLE AND IMIDAZOLINE DERIVATIVES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-02-02 EP disclosed
US-5866579-A SELECTIVE AGONISTS FOR CLONED HUMAN ALPHA-2 ADRENERGIC RECEPTORS. SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-02-02 US disclosed
WO-1998046572-A1 IMIDAZOLE AND IMIDAZOLINE DERIVATIVES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-10-22 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 (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-20020019390-A1 Imidazole and imidazoline derivatives and uses thereof ADRB2, ADRA2C, ADRB3 MAPT 2929/4885CYP1A2 178/4885CYP2C19 293/4885

“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.