SCHEMBL834993

SCHEMBL834993

C[C@H]([C]=O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.52
SIGMAR1 Q99720 4/20 0.52
SLC6A2 P23975 2/20 0.52
MAOA P21397 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
CYP2A6 P11509 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
CYP2D6 P10635 2/20 0.48
SLC18A2 Q05940 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TRPA1 O75762 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
EPHX1 P07099 1/20 0.44

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
SCHEMBL97558 1.00 TAAR1 (0.52) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL11504701 0.88 ACACB (0.48)
SCHEMBL6387963 0.79 SIGMAR1 (0.54) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL11200321 0.78 ACACB (0.45) TAAR1SIGMAR1MEN1KMT2ANPC1
SCHEMBL9528157 0.78 SLC6A2 (0.55) TAAR1SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL7290305 0.78 TSHR (0.49) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL2748352 0.77 MAOB (0.56) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL8675172 0.77 SIGMAR1 (0.52) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL1752148 0.77 SIGMAR1 (0.52) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL13593628 0.77 SIGMAR1 (0.52) TAAR1SIGMAR1SLC6A2MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-2051962-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-04-29 EP disclosed
WO-2008017989-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-02-14 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 (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-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives PTGDR, PTGER1, PTGIR TAAR1 94/4885SIGMAR1 544/4885SLC6A2 3506/4885

“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.