SCHEMBL13699035

SCHEMBL13699035

CC(C)CCNCCc1ccccn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
CYP1A2 P05177 3/20 0.73
CYP2C19 P33261 1/20 0.73
HRH3 Q9Y5N1 1/20 0.59
LMNA P02545 2/20 0.57
TAAR1 Q96RJ0 1/20 0.57
ALOX15 P16050 1/20 0.57
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP2D6 P10635 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CHRM2 P08172 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
HRH1 P35367 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX12 P18054 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
SCHEMBL1921574 0.86 HRH3 (0.70) ALDH1A1CYP1A2CYP2C19HRH3LMNA
SCHEMBL3422911 0.85 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C19HRH3LMNA
SCHEMBL13509980 0.85 MEN1 (0.67) ALDH1A1CYP1A2CYP2C19HRH3LMNA
SCHEMBL23053146 0.84 CYP1A2 (0.69) ALDH1A1CYP1A2CYP2C19HRH3LMNA
SCHEMBL574013 0.82 CYP1A2 (0.61) ALDH1A1CYP1A2CYP2C19HRH3LMNA
SCHEMBL30201139 0.82 CYP1A2 (0.61) ALDH1A1CYP1A2CYP2C19HRH3LMNA
SCHEMBL4213756 0.82 KCNH2 (0.60) ALDH1A1CYP1A2CYP2C19HRH3LMNA
SCHEMBL6752172 0.81 CYP1A2 (0.65) ALDH1A1CYP1A2CYP2C19HRH3LMNA
SCHEMBL7004091 0.79 HRH3 (0.79) ALDH1A1CYP1A2CYP2C19HRH3LMNA
SCHEMBL746674 0.79 CYP1A2 (0.67) ALDH1A1CYP1A2CYP2C19HRH3LMNA

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-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 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 (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-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 ALDH1A1 1193/4885CYP1A2 59/4885CYP2C19 7/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 ALDH1A1 1995/4885CYP1A2 164/4885CYP2C19 27/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR ALDH1A1 3443/4885CYP1A2 1189/4885CYP2C19 541/4885

“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.