SCHEMBL14768417

SCHEMBL14768417

C[C@H](N[C@H]1CCc2[nH]c3ccc(F)cc3c2C1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VPS4B O75351 1/20 0.51
VCP P55072 1/20 0.51
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
CYP2D6 P10635 1/20 0.47
KCNH2 Q12809 1/20 0.47
HTR1A P08908 3/20 0.45
HTR1B P28222 2/20 0.45
HTR1D P28221 1/20 0.45
ACHE P22303 1/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A4 P31645 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
HTR1E P28566 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
SCHEMBL2494312 1.00 VPS4B (0.51) VPS4BVCPHTR2AHTR2CCYP2D6
SCHEMBL2494316 1.00 VPS4B (0.51) VPS4BVCPHTR2AHTR2CCYP2D6
SCHEMBL2493069 1.00 VPS4B (0.51) VPS4BVCPHTR2AHTR2CCYP2D6
SCHEMBL2493068 1.00 VPS4B (0.51) VPS4BVCPHTR2AHTR2CCYP2D6
SCHEMBL9834959 0.86 NR2E1 (0.53) HTR2AHTR2CCYP2D6KCNH2HTR1A
SCHEMBL7591539 0.86 NR2E1 (0.53) HTR2AHTR2CCYP2D6KCNH2HTR1A
SCHEMBL7591546 0.86 NR2E1 (0.53) HTR2AHTR2CCYP2D6KCNH2HTR1A
Sulfuric Acid SCHEMBL7589746 0.80 NR2E1 (0.47) CYP2D6HTR1AHTR1BHTR1DGAA
SCHEMBL12325177 0.79 RB1 (0.62) VPS4BVCPHTR2AHTR2CHTR1A
Hydrochloric Acid SCHEMBL8110501 0.77 HTR1A (0.43) CYP2D6KCNH2HTR1AHTR1BHTR1D

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-20130065902-A1 3-(HETEROARYL-AMINO)-1,2,3,4-TETRAHYDRO-9H-CARBAZOLE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-03-14 US disclosed
US-20130065902-A1 3-(HETEROARYL-AMINO)-1,2,3,4-TETRAHYDRO-9H-CARBAZOLE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-03-14 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 (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-20130065902-A1 3-(HETEROARYL-AMINO)-1,2,3,4-TETRAHYDRO-9H-CARBAZOLE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGDR, PTGER1, PTGDR2 VPS4B 3918/4885VCP 4258/4885HTR2A 94/4885

“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.