SCHEMBL5648792

SCHEMBL5648792

O=[C]NCCc1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2A6 P11509 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ SIGMAR1 Q99720 2/20 0.45
▸ MC4R P32245 2/20 0.45
▸ MC5R P33032 2/20 0.45
▸ CES2 O00748 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ MC3R P41968 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ SLC13A5 Q86YT5 1/20 0.41
▸ PDPK1 O15530 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
SCHEMBL1999150 0.81 MC5R (0.51) CYP1A2CYP2A6CA12CA1CA2
SCHEMBL349780 0.77 ALDH1A1 (0.52) CYP1A2CA12CA1CA2SIGMAR1
SCHEMBL29560700 0.76 CYP1A2 (0.65) CYP1A2CYP2A6HDAC1HDAC8SIGMAR1
SCHEMBL6240981 0.76 CYP1A2 (0.65) CYP1A2CYP2A6HDAC1HDAC8SIGMAR1
SCHEMBL835672 0.76 CYP1A2 (0.51) CYP1A2CYP2A6HDAC1HDAC8SIGMAR1
SCHEMBL2255106 0.76 HDAC1 (0.53) CYP1A2CYP2A6CA12CA1CA2
SCHEMBL1680520 0.76 TAAR1 (0.57) CYP1A2CYP2A6SIGMAR1MC4RMC5R
SCHEMBL761211 0.75 CA12 (0.49) CYP1A2CYP2A6CA12CA1CA2
SCHEMBL5420659 0.74 FFAR1 (0.48) HDAC1KMT2A
Hydrochloric Acid SCHEMBL6559137 0.74 TAAR1 (0.55) CYP1A2CYP2A6SIGMAR1MC4RMC5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CYP1A2 877/4885CYP2A6 3722/4885CA12 3926/4885

“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.

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