SCHEMBL6282571

SCHEMBL6282571

Cc1ccc(C)c2c(CCN)c[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.60
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MPO P05164 2/20 0.45
SLC6A4 P31645 1/20 0.45
TAAR1 Q96RJ0 3/20 0.44
HTR2C P28335 3/20 0.44
HTR1D P28221 3/20 0.44
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR1B P28222 1/20 0.41
HTR7 P34969 1/20 0.41
CTSK P43235 1/20 0.41
HTR6 P50406 1/20 0.41
CYP2A13 Q16696 1/20 0.41
PMP22 Q01453 1/20 0.40

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
Hydrochloric Acid SCHEMBL7816091 0.98 NPSR1 (0.61) HTR2AMAPTSMN1; SMN2NPSR1MPO
SCHEMBL24460209 0.84 HTR2A (0.58) HTR2AMAPTSMN1; SMN2NPSR1TAAR1
SCHEMBL25001471 0.81 HTR2A (0.46) HTR2AMAPTSMN1; SMN2NPSR1MPO
SCHEMBL25305253 0.79 HTR2A (0.47) HTR2AMAPTSMN1; SMN2NPSR1MPO
SCHEMBL26451603 0.77 HTR2A (0.47) HTR2AMAPTSMN1; SMN2NPSR1MPO
SCHEMBL11912873 0.76 HTR2A (0.49) HTR2AMAPTSMN1; SMN2NPSR1MPO
SCHEMBL7822472 0.75 HTR2A (0.66) HTR2AMAPTSMN1; SMN2NPSR1MPO
SCHEMBL11493969 0.75 HTR2A (0.54) HTR2AMAPTMPOTAAR1HTR2C
SCHEMBL4838821 0.75 GPR84 (0.69) HTR2AMAPTSMN1; SMN2NPSR1MPO
SCHEMBL690659 0.75 HTR2A (1.00) HTR2AMAPTSMN1; SMN2NPSR1MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists BIOVITRUM AB (SE) 2005-12-29 US disclosed
WO-2005048916-A2 TETRAHYDROSPIRO-BETA-CARBOLINE-1,3 '-PYRROLIDINE DERIVATIVES AND THEIR USE IN GHSR-RELATED DISORDERS BIOVITRUM AB (SE) 2005-06-02 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-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists GHSR, GHRHR, PRLHR HTR2A 279/4885MAPT 4163/4885SMN1; SMN2 2065/4885

“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.