SCHEMBL3323503

SCHEMBL3323503

C[C@@H]1CCCN1[C@@H]1CCc2cc(-c3cccnc3)ccc2C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 16/20 0.57
CYP11B2 P19099 16/20 0.57
CYP1A2 P05177 7/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2B6 P20813 1/20 0.57
CYP2C19 P33261 1/20 0.44
GRIA2 P42262 1/20 0.43
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 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
SCHEMBL3324853 1.00 CYP11B1 (0.57) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL3323501 1.00 CYP11B1 (0.57) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL4135895 0.87 CYP11B1 (0.40) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL4139788 0.86 CYP11B2 (0.39) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL4139793 0.86 CYP11B2 (0.39) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL4142343 0.86 HRH3 (0.40) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL4129121 0.84 HRH3 (0.39) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL4141100 0.83 HRH3 (0.38) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL4144375 0.82 CYP11B2 (0.63) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL4129139 0.82 CYP11B2 (0.63) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed
US-20150011759-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2015-01-08 US disclosed
US-20100121055-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2010-05-13 US disclosed
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US disclosed
EP-2007749-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR Pfizer Products Inc. (US) 2008-12-31 EP disclosed
WO-2007105053-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-09-20 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-20150011759-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF TPMT, SPR, QDPR CYP11B1 1271/4885CYP11B2 638/4885CYP1A2 265/4885
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 CYP11B1 810/4885CYP11B2 745/4885CYP1A2 1220/4885
US-20100121055-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF TPMT, SPR, QDPR CYP11B1 1271/4885CYP11B2 638/4885CYP1A2 265/4885

“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.