SCHEMBL5415547

SCHEMBL5415547

Clc1ncc2c3c(cccc13)N(C1CCNCC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.44
HTR2B P41595 9/20 0.44
HTR2A P28223 5/20 0.41
NOS1 P29475 4/20 0.36
NOS2 P35228 3/20 0.36
NOS3 P29474 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR1B P28222 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
KCNH2 Q12809 1/20 0.36
DRD2 P14416 1/20 0.34
HTR6 P50406 1/20 0.33

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
SCHEMBL5596795 0.93 HTR2C (0.44) HTR2CHTR2BHTR2ANOS1NOS2
SCHEMBL5596782 0.86 HTR2C (0.43) HTR2CHTR2BHTR2ANOS1NOS2
SCHEMBL5596727 0.86 SCN9A (0.39) HTR2CHTR2BSCDOPRM1OPRD1
SCHEMBL5418022 0.86 HTR2C (0.44) HTR2CHTR2BHTR2ANOS1NOS2
SCHEMBL5596820 0.86 OPRM1 (0.34) CYP2D6DRD2SCDOPRM1OPRD1
SCHEMBL5596834 0.83 OPRM1 (0.32) SCDOPRM1OPRD1OPRK1OPRL1
SCHEMBL5596752 0.83 PTPN11 (0.34) DRD2SCDOPRM1OPRD1OPRK1
SCHEMBL5596802 0.81 OPRM1 (0.31) OPRM1OPRD1OPRK1OPRL1
SCHEMBL5596986 0.81 C5AR1 (0.39)
SCHEMBL5596620 0.81 DRD2 (0.39) DRD2HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-7160894-B2 Antagonist of phosphorylation of myosin regulatory light chain, enzyme inhibitors; therapeutic treatment of glaucoma, bronchial asthma, chronic obstructive pulmonary disease, nervous system disorders; 4-(2,3-dihydro-1,5-diazaphenalen-1-yl)cyclohexylamine ASAHI KASEI PHARMA CORPORATION (JP) 2007-01-09 US disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 US disclosed
EP-1632492-A1 TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2006-03-08 EP disclosed
US-20050096310-A1 Tricyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-05-05 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 (2 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-20050096310-A1 Tricyclic compound MYLK3, CSNK1A1L, MYLK HTR2C 1533/4885HTR2B 1808/4885HTR2A 1671/4885
US-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A HTR2C 1430/4885HTR2B 1795/4885HTR2A 2293/4885

“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.