SCHEMBL833781

SCHEMBL833781

NC1CCc2[nH]c3ccc(F)cc3c2C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 5/20 0.65
HTR1D P28221 4/20 0.65
NR2E1 Q9Y466 1/20 0.64
HTR6 P50406 1/20 0.58
EGFR P00533 1/20 0.52
IGF1R P08069 1/20 0.52
FLT4 P35916 1/20 0.52
KDR P35968 1/20 0.52
VPS4B O75351 1/20 0.50
VCP P55072 1/20 0.50
SIGMAR1 Q99720 1/20 0.47
BAZ2B Q9UIF8 1/20 0.46
HTR1F P30939 1/20 0.45
ACHE P22303 1/20 0.44
HTR1A P08908 3/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A4 P31645 2/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL833788 1.00 HTR1B (0.65) HTR1BHTR1DNR2E1HTR6EGFR
SCHEMBL833780 1.00 HTR1B (0.65) HTR1BHTR1DNR2E1HTR6EGFR
SCHEMBL4898192 0.90 HTR1B (0.52) HTR1BHTR1DNR2E1HTR6VPS4B
SCHEMBL15281767 0.84 HTR1B (0.67) HTR1BHTR1DNR2E1HTR6EGFR
SCHEMBL14624295 0.84 HTR1B (0.67) HTR1BHTR1DNR2E1HTR6EGFR
SCHEMBL24408213 0.82 HTR1B (0.67) HTR1BHTR1DNR2E1HTR6EGFR
SCHEMBL6529421 0.82 HTR1B (0.65) HTR1BHTR1DNR2E1HTR6EGFR
SCHEMBL9336395 0.82 HTR1B (0.65) HTR1BHTR1DNR2E1HTR6EGFR
SCHEMBL24408397 0.82 HTR1B (0.67) HTR1BHTR1DNR2E1HTR6EGFR
SCHEMBL6529419 0.82 HTR1B (0.65) HTR1BHTR1DNR2E1HTR6EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558447-B1 3-(HETEROARYL-AMINO)-1,2,3,4-TETRAHYDRO-9H-CARBAZOLE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-09-17 EP disclosed
US-8697869-B2 3-(heteroaryl-amino)-1,2,3,4-tetrahydro-9H-carbazole derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2014-04-15 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
US-8143304-B2 (3-amino-1,2,3,4-tetrahydro-9 H-carbazol-9-yl)-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2012-03-27 US disclosed
EP-2051962-B1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-26 EP disclosed
EP-2316824-A1 (3-Amino-1,2,3,4-tetrahydro-9H-carbazoI-9-yl)-acetic acid derivates Actelion Pharmaceuticals Ltd. (CH) 2011-05-04 EP disclosed
US-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-29 US disclosed
WO-2005033099-A2 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS; PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS THEREOF GLENMARK PHARMACEUTICALS LTD. (US) 2005-04-14 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 (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-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives PTGDR, PTGER1, PTGIR HTR1B 105/4885HTR1D 113/4885NR2E1 723/4885
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 HTR1B 54/4885HTR1D 79/4885NR2E1 438/4885

“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.