SCHEMBL172363

SCHEMBL172363

CC[C@@H](C)NCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.70
POLB P06746 2/20 0.50
LTA4H P09960 1/20 0.50
BCHE P06276 1/20 0.49
LMNA P02545 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
SLC18A2 Q05940 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL13675825 1.00 SIGMAR1 (0.70) SIGMAR1POLBLTA4HBCHELMNA
SCHEMBL172633 1.00 SIGMAR1 (0.70) SIGMAR1POLBLTA4HBCHELMNA
SCHEMBL10943350 0.89 SIGMAR1 (0.54) SIGMAR1LTA4HBCHECYP3A4SMN1; SMN2
SCHEMBL13200644 0.85 SIGMAR1 (0.52) SIGMAR1LTA4HCYP3A4SMN1; SMN2
SCHEMBL8826024 0.84 SIGMAR1 (0.51) SIGMAR1LTA4HBCHEKDM4ESMN1; SMN2
SCHEMBL8691568 0.84 SIGMAR1 (0.51) SIGMAR1LTA4HBCHEKDM4ESMN1; SMN2
SCHEMBL8692762 0.84 SIGMAR1 (0.51) SIGMAR1LTA4HBCHEKDM4ESMN1; SMN2
SCHEMBL172531 0.83 SIGMAR1 (0.66) SIGMAR1POLBBCHELMNATAAR1
N-Benzylamphetamine SCHEMBL2451256 0.83 SIGMAR1 (1.00) SIGMAR1POLBLMNATAAR1SLC18A2
N-Benzylamphetamine SCHEMBL2795222 0.83 SIGMAR1 (1.00) SIGMAR1POLBLMNATAAR1SLC18A2

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-8188307-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-29 US disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
US-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE TAKASAGO INTERNATIONAL COPORATION (JP) 2010-02-11 US disclosed
WO-2008030902-A1 ALKYLENE BRIDGED SULTAM COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-13 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-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE AADAT, KMO, ALDH7A1 SIGMAR1 2965/4885POLB 3547/4885LTA4H 1192/4885

“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.