SCHEMBL16418121

SCHEMBL16418121

COc1ccc(Oc2ccc3c(c2)c2c4n3CCNC4CCC2)cc1.CS(=O)(=O)O

nearest known ligand 0.71

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 1/20 0.59
ADRA2A known ✓ P08913 1/20 0.59
CHRM1 known ✓ P11229 1/20 0.59
DRD1 known ✓ P21728 1/20 0.59
SLC6A2 known ✓ P23975 1/20 0.59
SLC6A4 known ✓ P31645 1/20 0.59
SLC6A3 known ✓ Q01959 1/20 0.59
HSD17B10 Q99714 5/20 0.71
CYP1A2 P05177 3/20 0.71
CYP2D6 P10635 3/20 0.71
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
TP53 P04637 3/20 0.59
KDM4E B2RXH2 3/20 0.59
CYP3A4 P08684 2/20 0.59
GAA P10253 2/20 0.59
TEAD4 Q15561 2/20 0.59
MAOA P21397 1/20 0.59
TEAD1 P28347 1/20 0.59
KCNH2 Q12809 1/20 0.59

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
SCHEMBL13925743 0.93 HSD17B10 (0.67) HSD17B10CYP1A2CYP2D6MEN1KMT2A
SCHEMBL4162975 0.84 HSD17B10 (0.52) HSD17B10CYP1A2CYP2D6MEN1KMT2A
Pirlindole SCHEMBL3761340 0.83 HSD17B10 (1.00) HSD17B10CYP1A2CYP2D6MEN1KMT2A
Pirlindole SCHEMBL30984462 0.83 HSD17B10 (1.00) HSD17B10CYP1A2CYP2D6MEN1KMT2A
SCHEMBL16433504 0.76 SMPD1 (0.46) HSD17B10CYP1A2CYP2D6MEN1KMT2A
SCHEMBL12948590 0.76 MEN1 (0.67) HSD17B10CYP1A2CYP2D6MEN1KMT2A
Pirlindole SCHEMBL373564 0.75 HSD17B10 (1.00) HSD17B10CYP1A2CYP2D6MEN1KMT2A
Pirlindole SCHEMBL18877133 0.75 HSD17B10 (1.00) HSD17B10CYP1A2CYP2D6MEN1KMT2A
Pirlindole SCHEMBL18878061 0.75 HSD17B10 (1.00) HSD17B10CYP1A2CYP2D6MEN1KMT2A
Pirlindole SCHEMBL4157397 0.74 HSD17B10 (0.97) HSD17B10CYP1A2CYP2D6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9271960-B2 Tetrahydrocarbazoles as active agents for inhibiting VEGF production by translational control PTC THERAPEUTICS, INC. (US) 2016-03-01 US disclosed
US-20150141418-A1 TETRAHYDROCARBAZOLES AS ACTIVE AGENTS FOR INHIBITING VEGF PRODUCTION BY TRANSLATIONAL CONTROL PTC THERAPEUTICS, INC. (US) 2015-05-21 US disclosed
US-8946444-B2 Tetrahydrocarbazoles as active agents for inhibiting VEGF production by translational control PTC THERAPEUTICS, INC. (US) 2015-02-03 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-20150141418-A1 TETRAHYDROCARBAZOLES AS ACTIVE AGENTS FOR INHIBITING VEGF PRODUCTION BY TRANSLATIONAL CONTROL VEGFA, FLT4, KDR HTR1A 4681/4885ADRA2A 4733/4885CHRM1 4871/4885

“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.