SCHEMBL5520311

SCHEMBL5520311

COc1ccccc1CCC[C@H](N)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
AOC3 Q16853 1/20 0.44
IDO1 P14902 2/20 0.41
ABCB1 P08183 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
MPO P05164 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 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
SCHEMBL28089294 0.79 TAAR1 (0.58) TAAR1KMT2AAOC3IDO1SIGMAR1
SCHEMBL10454836 0.75 ATM (0.47) TAAR1MEN1KMT2AATML3MBTL1
SCHEMBL19398947 0.75 TAAR1 (0.56) TAAR1AOC3IDO1ABCB1SIGMAR1
SCHEMBL27590616 0.74 MEN1 (0.50) TAAR1MEN1KMT2AATML3MBTL1
SCHEMBL7831226 0.74 TAAR1 (0.69) TAAR1AOC3IDO1ABCB1SIGMAR1
SCHEMBL27755262 0.72 TAAR1 (0.50) TAAR1AOC3MPOCA12CA1
SCHEMBL30520870 0.72 TAAR1 (0.61) TAAR1KMT2AAOC3IDO1ABCB1
SCHEMBL267933 0.72 TAAR1 (0.61) TAAR1KMT2AAOC3IDO1ABCB1
SCHEMBL31689750 0.71 TAAR1 (0.78) TAAR1AOC3IDO1SIGMAR1MPO
SCHEMBL4860531 0.71 TAAR1 (0.78) TAAR1AOC3IDO1SIGMAR1MPO

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 8 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-7087765-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2006-08-08 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-20040171670-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. 2004-09-02 US disclosed
US-6750244-B2 NERVOUS SYSTEM DISORDERS NPS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-20020004522-A1 Nervous system disorders NPS PHARMACEUTICALS, INC. 2002-01-10 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 (3 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 TAAR1 1698/4885MEN1 4690/4885KMT2A 3335/4885
US-20040171670-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NCS1, ATP2A1, CACNA1D TAAR1 1698/4885MEN1 4690/4885KMT2A 3335/4885
US-20020004522-A1 Nervous system disorders HIF1A, PYGB, LDHB TAAR1 4211/4885MEN1 3316/4885KMT2A 1100/4885

“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.