SCHEMBL5649409

SCHEMBL5649409

O=[C]NCCc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.57
NQO2 P16083 1/20 0.57
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
CA2 P00918 1/20 0.44
ACP3 P15309 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
DAO P14920 1/20 0.42
CYP2D6 P10635 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL406429 0.81 CA2 (0.54) HPGDTDP1CYP1A2CYP2C19CYP2C9
SCHEMBL8794788 0.79 HPGD (0.64) MTNR1ANQO2HPGDTDP1CYP1A2
SCHEMBL3047898 0.76 CYP1A2 (0.62) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL2255099 0.76 MTNR1A (0.62) MTNR1ANQO2HPGDTDP1CYP1A2
SCHEMBL3637276 0.76 MTNR1A (0.57) MTNR1ANQO2HPGDTDP1CYP1A2
SCHEMBL606293 0.76 MTNR1A (0.63) MTNR1ANQO2HPGDCYP1A2CYP2C19
SCHEMBL29061337 0.76 MTNR1A (0.57) MTNR1ANQO2HPGDTDP1CYP1A2
SCHEMBL143457 0.76 MTNR1A (0.49) MTNR1ANQO2HPGDTDP1CYP1A2
SCHEMBL19553634 0.76 MTNR1A (0.62) MTNR1ANQO2HPGDTDP1CYP1A2
SCHEMBL30736517 0.75 MTNR1A (0.57) MTNR1ANQO2HPGDTDP1CYP1A2

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-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 US claimed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP claimed
US-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 EP disclosed
EP-0671975-B2 CHIRAL ADSORBENTS AND PREPARATION THEREOF AS WELL AS COMPOUNDS ON WHICH THE ADSORBENTS ARE BASED AND PREPARATION OF THESE COMPOUNDS EKA CHEMICALS AB (SE) 2002-07-03 EP disclosed
US-6333426-B1 CHIRAL STATIONARY PHASES BASED ON NETWORK POLYMERS OF TARTARIC ACID DERIVATIVES EXHIBIT GENERAL ENANTIOSELECTIVITY FOR MOST TYPES OF PHARMACEUTICAL SUBSTANCES EKA NOBEL AB (SE) 2001-12-25 US disclosed
US-6277782-B1 POLYMER BONDED TO CARRIER EKA NOBEL AB (SE) 2001-08-21 US disclosed
EP-0671975-B1 CHIRAL ADSORBENTS AND PREPARATION THEREOF AS WELL AS COMPOUNDS ON WHICH THE ADSORBENTS ARE BASED AND PREPARATION OF THESE COMPOUNDS EKA CHEMICALS AB (SE) 1998-07-22 EP disclosed
EP-0671975-A1 CHIRAL ADSORBENTS AND PREPARATION THEREOF AS WELL AS COMPOUNDS ON WHICH THE ADSORBENTS ARE BASED AND PREPARATION OF THESE COMPOUNDS Eka Chemicals AB (SE) 1995-09-20 EP disclosed
WO-1994012275-A1 CHIRAL ADSORBENTS AND PREPARATION THEREOF AS WELL AS COMPOUNDS ON WHICH THE ADSORBENTS ARE BASED AND PREPARATION OF THESE COMPOUNDS EKA NOBEL AB (SE) 1994-06-09 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 (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-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 MTNR1A 2187/4885NQO2 882/4885HPGD 1549/4885

“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.