SCHEMBL5103407

SCHEMBL5103407

CCCNc1ccc(CO)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.64
MAPT P10636 5/20 0.59
ALDH1A1 P00352 4/20 0.59
PKM P14618 3/20 0.59
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
KAT2B Q92831 3/20 0.58
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PRSS1 P07477 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PTGER4 P35408 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL20529066 0.88 HCAR3 (0.53) HCAR3MAPTALDH1A1PKMRAB9A
SCHEMBL6536602 0.88 HCAR3 (0.62) HCAR3MAPTALDH1A1PKMRAB9A
SCHEMBL1886423 0.88 ALDH1A1 (0.62) HCAR3MAPTALDH1A1PKMRAB9A
SCHEMBL18075204 0.85 HCAR3 (0.67) HCAR3MAPTALDH1A1PKMRAB9A
SCHEMBL18075096 0.85 ALDH1A1 (0.67) HCAR3MAPTALDH1A1PKMRAB9A
SCHEMBL5983182 0.82 KAT2B (0.69) HCAR3MAPTALDH1A1PKMRAB9A
SCHEMBL10888166 0.82 HCAR3 (0.68) HCAR3MAPTALDH1A1PKMRAB9A
SCHEMBL9458424 0.81 HCAR3 (0.58) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL14063303 0.80 HCAR3 (0.65) HCAR3MAPTALDH1A1PKMRAB9A
SCHEMBL10249409 0.80 KAT2B (0.71) HCAR3MAPTALDH1A1PKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348326-B2 Heteroaryl fused aminoalkyl imidazole derivatives: selective modulators of GABAa receptors NEUROGEN CORPORATION (US) 2008-03-25 US disclosed
US-20060160842-A1 Heteroaryl fused aminoalkyl imidazole derivates: selective modulators of GABAA receptors NEUROGEN CORPORATION (US) 2006-07-20 US disclosed
US-6972293-B2 Heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of GABAa receptors NEUROGEN CORPORATION (US) 2005-12-06 US disclosed
EP-1165557-B1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORP (US) 2004-09-29 EP disclosed
US-20040023993-A1 Heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of GABAa receptors NEUROGEN CORPORATION A CORPORATION OF THE STATE OF DELAWARE (US) 2004-02-05 US disclosed
US-6627624-B1 Agonists, antagonists or inverse agonists for GABAa brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABAa brain receptors, and are therefore useful in the diagnosis and treatment of anxiety, Down Syndrome, NEUROGEN CORPORATION 2003-09-30 US disclosed
US-20030092912-A1 Heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of GABAa Receptors NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2003-05-15 US disclosed
US-6380210-B1 USEFUL IN DIAGNOSIS AND TREATMENT OF ANXIETY, DOWN SYNDROME, SLEEP, COGNITIVE AND SEIZURE DISORDERS, DEPRESSION, OVERDOSE WITH BENZODIAZEPINE DRUGS, AND ENHANCEMENT OF MEMORY AND ALERTNESS NEUROGEN CORPORATION 2002-04-30 US disclosed
EP-1165557-A1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORPORATION (US) 2002-01-02 EP disclosed
WO-2000059905-A1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORPORATION (US) 2000-10-12 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 (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-20060160842-A1 Heteroaryl fused aminoalkyl imidazole derivates: selective modulators of GABAA receptors GABRB1, GABRA1, GABRB3 HCAR3 162/4885MAPT 2131/4885ALDH1A1 1650/4885
US-20030092912-A1 Heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of GABAa Receptors GABRA1, GABRB1, GABRA4 HCAR3 197/4885MAPT 2060/4885ALDH1A1 1461/4885
US-20040023993-A1 Heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of GABAa receptors GABRA1, GABRB1, GABRA4 HCAR3 197/4885MAPT 2060/4885ALDH1A1 1461/4885

“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.