SCHEMBL772622

SCHEMBL772622

CC(c1c[nH]c2ccccc12)[C@H]1CCCN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.50
FFAR1 O14842 2/20 0.50
HTR6 P50406 4/20 0.48
HTR2C P28335 3/20 0.47
HTR2A P28223 1/20 0.47
HTR2B P41595 1/20 0.47
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
MAPK1 P28482 1/20 0.43
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 1/20 0.41
ADRB2 P07550 1/20 0.40
SRC P12931 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38

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
SCHEMBL4383256 1.00 GPR84 (0.50) GPR84FFAR1HTR6HTR2CHTR2A
SCHEMBL5172958 1.00 GPR84 (0.50) GPR84FFAR1HTR6HTR2CHTR2A
SCHEMBL9281167 0.96 GPR84 (0.49) GPR84FFAR1HTR6HTR2CHTR2A
SCHEMBL8208352 0.82 HTR1D (0.40) HTR6HTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL8209090 0.81 SLC6A4 (0.50) GPR84HTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL1697454 0.81 SLC6A4 (0.43) GPR84HTR6ALDH1A1SLC6A4SLC6A2
SCHEMBL8507358 0.81 HTR1D (0.45) HTR6HTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL774639 0.81 SLC6A4 (0.43) GPR84HTR6ALDH1A1SLC6A4SLC6A2
SCHEMBL8209129 0.81 SLC6A4 (0.43) GPR84HTR2CHTR2AHTR2BALDH1A1
SCHEMBL9287655 0.81 HTR1D (0.42) HTR6HTR2CHTR2AHTR2BSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071669-A1 PROCESS FOR PREPARATION OF ELETRIPTAN AND SALT THEREOF USV Limited B.S.D. Mar (IN) 2012-03-22 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-20120071669-A1 PROCESS FOR PREPARATION OF ELETRIPTAN AND SALT THEREOF HTR3C, SLC6A4, HTR3A GPR84 3266/4885FFAR1 2905/4885HTR6 28/4885

“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.