SCHEMBL6770407

SCHEMBL6770407

CC1(C)CCc2cc([N+](=O)[O-])cnc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.37
AHR P35869 1/20 0.36
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
IDO1 P14902 1/20 0.35
RAB9A P51151 1/20 0.34
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
ADRA2A P08913 1/20 0.33
PNMT P11086 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
SCHEMBL6777647 0.91 ALDH1A1 (0.38) ALDH1A1HTTMAPK1AHRGAA
SCHEMBL31378706 0.78 ALDH1A1 (0.38) ALDH1A1HTTMAPK1AHRMEN1
SCHEMBL14862897 0.77 PNMT (0.40) ALDH1A1HTTMAPK1GAACYP1A2
SCHEMBL30332016 0.77 PNMT (0.40) ALDH1A1HTTMAPK1GAACYP1A2
SCHEMBL7018661 0.76 ALDH1A1 (0.37) ALDH1A1HTTMAPK1GAAMAPT
SCHEMBL31378704 0.75 ALDH1A1 (0.36) ALDH1A1HTTMAPK1AHRGAA
SCHEMBL31149380 0.73 CYP1A2 (0.38) ALDH1A1HTTMAPK1AHRGAA
SCHEMBL6770989 0.72 ALDH1A1 (0.36) ALDH1A1HTTMAPK1GAACYP1A2
SCHEMBL14863260 0.72 TAS1R3 (0.36) ALDH1A1HTTMAPK1GAACYP1A2
SCHEMBL14863261 0.72 TAS1R3 (0.36) ALDH1A1HTTMAPK1GAACYP1A2

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 4 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
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

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 ALDH1A1 1211/4885HTT 2747/4885MAPK1 3098/4885

“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.