SCHEMBL14998625

SCHEMBL14998625

COc1nccc2c1C1CCC2CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
IDO1 P14902 6/20 0.38
HTR6 P50406 4/20 0.37
CYP17A1 P05093 3/20 0.35
NR1I2 O75469 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
P2RX7 Q99572 1/20 0.34
MGLL Q99685 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL28026351 1.00 HTR1A (0.39) HTR1ASLC6A2SLC6A4SLC6A3IDO1
SCHEMBL10036999 0.89 ADRA1A (0.35) HTR1ASLC6A2SLC6A4SLC6A3IDO1
SCHEMBL28139518 0.80 CYP19A1 (0.38) HTR1ASLC6A2SLC6A4SLC6A3IDO1
SCHEMBL25791837 0.80 HTR1A (0.38) HTR1ASLC6A2SLC6A4SLC6A3IDO1
SCHEMBL30320409 0.80 IDO1 (0.42) HTR1ASLC6A2SLC6A4SLC6A3IDO1
SCHEMBL25793903 0.77 HTR1A (0.37) HTR1ASLC6A2SLC6A4SLC6A3IDO1
SCHEMBL25791511 0.77 HTR1A (0.37) HTR1ASLC6A2SLC6A4SLC6A3IDO1
SCHEMBL30972618 0.76 HTR1A (0.39) HTR1ASLC6A2SLC6A4SLC6A3IDO1
SCHEMBL29864687 0.76 IDO1 (0.38) HTR1ASLC6A2SLC6A4SLC6A3IDO1
SCHEMBL27904400 0.76 CHRNB4 (0.31) HTR1ASLC6A2SLC6A4SLC6A3CHRNB4

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-8791106-B2 Fused ring pyridine compound ASTELLAS PHARMA INC. (JP) 2014-07-29 US disclosed
US-8791106-B2 Fused ring pyridine compound ASTELLAS PHARMA INC. (JP) 2014-07-29 US disclosed
US-20130143874-A1 FUSED RING PYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-06 US disclosed
US-20130143874-A1 FUSED RING PYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-06 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-20130143874-A1 FUSED RING PYRIDINE COMPOUND CNR2, CNR1, TRPV1 HTR1A 299/4885SLC6A2 3389/4885SLC6A4 3290/4885

“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.