SCHEMBL4903902

SCHEMBL4903902

COc1ccc2[nH]c3c(c2c1)CC(C=O)CC3

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.69
HTR1B P28222 3/20 0.69
CYP1A2 P05177 3/20 0.52
CYP2D6 P10635 3/20 0.52
ALOX15 P16050 3/20 0.52
HSD17B10 Q99714 3/20 0.52
RECQL P46063 2/20 0.52
TSHR P16473 2/20 0.52
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
NFKB1 P19838 1/20 0.52
PMP22 Q01453 1/20 0.52
USP2 O75604 1/20 0.52
CYP2C9 P11712 1/20 0.52
BAZ2B Q9UIF8 1/20 0.51
KDR P35968 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SIRT1 Q96EB6 1/20 0.48
KDM4E B2RXH2 3/20 0.47

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
SCHEMBL4904410 0.90 HTR1D (0.55) HTR1DHTR1BCYP1A2CYP2D6HSD17B10
SCHEMBL4288837 0.82 HTR1D (0.72) HTR1DHTR1BCYP1A2CYP2D6ALOX15
SCHEMBL6527024 0.82 HTR1B (1.00) HTR1DHTR1BCYP1A2CYP2D6ALOX15
Hydrochloric Acid SCHEMBL7540641 0.81 HTR1B (0.97) HTR1DHTR1BCYP1A2CYP2D6ALOX15
SCHEMBL4497186 0.80 VPS4B (0.51) HTR1DHTR1BBAZ2BMEN1KMT2A
SCHEMBL11831865 0.80 HTR1D (0.66) HTR1DHTR1BCYP1A2CYP2D6ALOX15
SCHEMBL11194766 0.80 HTR1D (0.69) HTR1DHTR1BCYP1A2CYP2D6ALOX15
SCHEMBL7403551 0.80 HTR1D (0.69) HTR1DHTR1BCYP1A2CYP2D6ALOX15
SCHEMBL14880114 0.79 HTR1B (0.65) HTR1DHTR1BCYP1A2CYP2D6ALOX15
SCHEMBL10742169 0.79 HTR1D (0.67) HTR1DHTR1BCYP1A2CYP2D6ALOX15

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-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US disclosed
US-7297704-B2 Cycloalkyfused indole, benzothiophene, benzofuran and idene derivatives WYETH (US) 2007-11-20 US disclosed
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives WYETH (US) 2006-09-14 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 (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-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives TPH1, TPH2, HTR2C HTR1D 18/4885HTR1B 19/4885CYP1A2 321/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C HTR1D 18/4885HTR1B 19/4885CYP1A2 321/4885

“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.