SCHEMBL6001101

SCHEMBL6001101

COc1cccc(C(CCN)c2cccc(OC)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.55
MTNR1B P49286 4/20 0.55
HRH1 P35367 1/20 0.53
TAAR1 Q96RJ0 3/20 0.51
AOC3 Q16853 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
CASR P41180 1/20 0.49
ALDH1A1 P00352 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
SCHEMBL7857706 0.97 HRH1 (0.60) MTNR1AMTNR1BHRH1TAAR1AOC3
SCHEMBL14415634 0.91 MTNR1A (0.48) MTNR1AMTNR1BHRH1TAAR1AOC3
SCHEMBL14415672 0.91 MTNR1A (0.48) MTNR1AMTNR1BHRH1TAAR1AOC3
SCHEMBL14415673 0.91 MTNR1A (0.48) MTNR1AMTNR1BHRH1TAAR1AOC3
SCHEMBL6001309 0.91 MTNR1A (0.48) MTNR1AMTNR1BHRH1TAAR1AOC3
SCHEMBL4432893 0.86 SLC6A2 (0.51) MTNR1AMTNR1BHRH1AOC3MEN1
SCHEMBL11080613 0.86 TAAR1 (0.51) MTNR1AMTNR1BTAAR1AOC3L3MBTL1
SCHEMBL19291675 0.84 AOC3 (0.50) MTNR1AMTNR1BTAAR1AOC3L3MBTL1
SCHEMBL17755174 0.84 AOC3 (0.50) MTNR1AMTNR1BTAAR1AOC3L3MBTL1
SCHEMBL18293363 0.83 AOC3 (0.65) MTNR1AMTNR1BTAAR1AOC3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases MUELLER ALAN L 2006-06-29 US disclosed
US-6750244-B2 NERVOUS SYSTEM DISORDERS NPS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-6211245-B1 DRUGS FOR CONTROLLING CALCIUM MODULATORS NPS PHARMACEUTICALS, INC. 2001-04-03 US disclosed
US-6017965-A TREATING STROKE, HEAD TRAUMA, SPINAL CORD INJURY, SPINAL CORD ISCHEMIA, ISCHEMIA- OR HYPOXIA-INDUCED NERVE CELL DAMAGE, EPILEPSY, ANXIETY, NEUROPSYCHIATRIC OR COGNITIVE DEFICITS DUE TO ISCHEMIA OR HYPOXIA NPS PHARMACEUTICALS, INC. (US) 2000-01-25 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-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NCS1, ATP2A1, CACNA1D MTNR1A 925/4885MTNR1B 1065/4885HRH1 403/4885

“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.