SCHEMBL6000552

SCHEMBL6000552

CCC(CCN)(c1cccc(F)c1)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.47
KCNN4 O15554 4/20 0.43
TAAR1 Q96RJ0 5/20 0.43
ACHE P22303 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
IDO1 P14902 1/20 0.34
AGXT P21549 1/20 0.34

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
Ammonia Solution, Strong SCHEMBL6000557 0.83 KCNN4 (0.46) KIF11KCNN4TAAR1ACHE
SCHEMBL14415705 0.76 KIF11 (0.49) KIF11KCNN4TAAR1
Ethylamine SCHEMBL27485678 0.76 TAAR1 (0.52) KIF11KCNN4TAAR1IDO1
SCHEMBL777635 0.73 NPC1 (0.44) KIF11KCNN4TAAR1ACHECYP2C9
SCHEMBL7903555 0.73 KCNN4 (0.44) KIF11KCNN4TAAR1ACHE
SCHEMBL14395956 0.73 KCNN4 (0.44) KIF11KCNN4TAAR1ACHEIDO1
SCHEMBL18465353 0.72 KCNN4 (0.43) KIF11KCNN4TAAR1ACHEIDO1
SCHEMBL2260664 0.72 TAAR1 (0.57) KIF11KCNN4TAAR1ACHEIDO1
SCHEMBL16561969 0.72 CHRM3 (0.49) KIF11KCNN4TAAR1ACHE
SCHEMBL22024010 0.71 KCNN4 (0.40) KIF11KCNN4TAAR1ACHE

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 KIF11 4680/4885KCNN4 145/4885TAAR1 1698/4885

“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.