SCHEMBL5833208

SCHEMBL5833208

CC#CN[C@@H]1CCc2ccc(OC)cc2C1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.64
MTNR1B P49286 1/20 0.64
DRD2 P14416 6/20 0.60
DRD3 P35462 5/20 0.60
ACHE P22303 5/20 0.60
CA1 P00915 4/20 0.60
CA2 P00918 4/20 0.60
DRD4 P21917 4/20 0.47
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
CYP19A1 P11511 1/20 0.45
KCNH2 Q12809 1/20 0.43
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL5833494 1.00 MTNR1A (0.64) MTNR1AMTNR1BDRD2DRD3ACHE
SCHEMBL5833214 1.00 MTNR1A (0.64) MTNR1AMTNR1BDRD2DRD3ACHE
SCHEMBL8056603 0.81 DRD2 (0.68) MTNR1AMTNR1BDRD2DRD3ACHE
SCHEMBL8056606 0.81 DRD2 (0.68) MTNR1AMTNR1BDRD2DRD3ACHE
SCHEMBL8056611 0.81 DRD2 (0.68) MTNR1AMTNR1BDRD2DRD3ACHE
Hydrochloric Acid SCHEMBL10853587 0.80 DRD2 (0.66) MTNR1AMTNR1BDRD2DRD3ACHE
SCHEMBL3854031 0.78 MTNR1A (1.00) MTNR1AMTNR1BDRD2DRD3ACHE
Hydrochloric Acid SCHEMBL7926433 0.76 MTNR1A (0.55) MTNR1AMTNR1BCA1CA2GRIN2B
Hydrochloric Acid SCHEMBL11494181 0.76 DRD2 (0.78) MTNR1AMTNR1BDRD2DRD3ACHE
SCHEMBL2701521 0.75 DRD2 (1.00) MTNR1AMTNR1BDRD2DRD3ACHE

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-7049337-B2 Derivatives of 2-aminotetralins and pharmaceutical analogs thereof exhibiting differential CNS receptor activity and behavior WAYNE STATE UNIVERSITY (US) 2006-05-23 US disclosed
US-20030225154-A1 Derivatives of 2-aminotetralins and pharmaceutical analogs thereof exhibiting differentail cns receptor activity and behavior NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-12-04 US disclosed
WO-2001089453-A2 DERIVATIVES OF 2-AMINOTETRALINS AND PHARMACEUTICAL ANALOGS THEREOF EXHIBITING DIFFERENTIAL CNS RECEPTOR ACTIVITY AND BEHAVIOR WAYNE STATE UNIVERSITY (US) 2001-11-29 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-20030225154-A1 Derivatives of 2-aminotetralins and pharmaceutical analogs thereof exhibiting differentail cns receptor activity and behavior HTR3B, HTR7, HTR6 MTNR1A 25/4885MTNR1B 22/4885DRD2 17/4885

“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.