SCHEMBL9630873

SCHEMBL9630873

Cn1c2c(c3ccccc31)C(=O)C(C[N+](C)(C)C)CC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.59
CYP3A4 P08684 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
HTR3E A5X5Y0 1/20 0.59
SLC22A2 O15244 1/20 0.59
SLC22A1 O15245 1/20 0.59
SLC22A3 O75751 1/20 0.59
HTR3B O95264 1/20 0.59
CHRNB2 P17787 1/20 0.59
CHRNB4 P30926 1/20 0.59
CHRNA3 P32297 1/20 0.59
HTR2B P41595 1/20 0.59
CHRNA4 P43681 1/20 0.59
HTR3A P46098 1/20 0.59
HTR3D Q70Z44 1/20 0.59
SLC47A2 Q86VL8 1/20 0.59
HTR3C Q8WXA8 1/20 0.59
SLC47A1 Q96FL8 1/20 0.59
HDAC1 Q13547 1/20 0.41

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
Iodide SCHEMBL7168823 0.99 KCNH2 (0.58) KCNH2CYP3A4CYP1A2CYP2D6HTR3E
SCHEMBL19679596 0.85 KCNH2 (0.63) KCNH2CYP3A4CYP1A2CYP2D6HTR3E
SCHEMBL3994326 0.84 KCNH2 (0.61) KCNH2CYP3A4CYP1A2CYP2D6HTR3E
SCHEMBL4077482 0.82 CYP3A4 (0.59) KCNH2CYP3A4CYP1A2CYP2D6HTR3E
Hydrochloric Acid SCHEMBL5202651 0.81 CYP3A4 (0.58) KCNH2CYP3A4CYP1A2CYP2D6HTR3E
SCHEMBL13157508 0.79 KCNH2 (0.55) KCNH2CYP3A4CYP1A2CYP2D6HTR3E
SCHEMBL682811 0.77 CYP3A4 (0.72) KCNH2CYP3A4CYP1A2CYP2D6HTR3E
SCHEMBL13439469 0.77 KCNH2 (0.62) KCNH2CYP3A4CYP1A2CYP2D6HTR3E
SCHEMBL5234561 0.76 KCNH2 (0.53) KCNH2CYP3A4CYP1A2CYP2D6HTR3E
SCHEMBL19106874 0.76 KCNH2 (0.66) KCNH2CYP3A4CYP1A2CYP2D6HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547791-B2 One-pot process for the preparation of antiemetic agent, 1,2,3,9-tetrahydro-9-methyl-3[(2-methyl)-1H-imidazole-1-yl)methyl]-4H-carbazol-4-O IPCA LABORATORIES LTD. (IN) 2009-06-16 US disclosed
US-7547791-B2 One-pot process for the preparation of antiemetic agent, 1,2,3,9-tetrahydro-9-methyl-3[(2-methyl)-1H-imidazole-1-yl)methyl]-4H-carbazol-4-O IPCA LABORATORIES LTD. (IN) 2009-06-16 US disclosed
US-20080009635-A1 One-Pot Process for the Preparation of Antiemetic Agent, 1,2,3,9-Tetrahydro-9-Methyl-3[(2-Methyl)-1H-Imidazole-1-Yl)Methyl]-4H-Carbazol-4-O IPCA LABORATORIES LIMITED (IN) 2008-01-10 US disclosed
US-20080009635-A1 One-Pot Process for the Preparation of Antiemetic Agent, 1,2,3,9-Tetrahydro-9-Methyl-3[(2-Methyl)-1H-Imidazole-1-Yl)Methyl]-4H-Carbazol-4-O IPCA LABORATORIES LIMITED (IN) 2008-01-10 US disclosed
EP-0278161-B1 KETONE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF THE WITHDRAWAL SYNDROME GLAXO GROUP LIMITED (GB) 1992-04-01 EP disclosed
EP-0278161-A1 Ketone derivatives as medicaments for the treatment or prevention of the withdrawal syndrome GLAXO GROUP LIMITED (GB) 1988-08-17 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 (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-20080009635-A1 One-Pot Process for the Preparation of Antiemetic Agent, 1,2,3,9-Tetrahydro-9-Methyl-3[(2-Methyl)-1H-Imidazole-1-Yl)Methyl]-4H-Carbazol-4-O CRHR2, HCRTR2, HTR1D KCNH2 513/4885CYP3A4 422/4885CYP1A2 219/4885

“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.